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acetonitrile
(Q408047)
Item
Discussion
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From Wikidata
chemical compound
cyanomethane
ethyl nitrile
methyl cyanide
ACN
ethanenitrile
methanecarbonitrile
edit
Language
Label
Description
Also known as
default for all languages
No label defined
–
MeCN
C2H3N
CH3CN
English
acetonitrile
chemical compound
cyanomethane
ethyl nitrile
methyl cyanide
ACN
ethanenitrile
methanecarbonitrile
Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
chemical structure
Acetonitrile-2D.png
1,100 × 801; 24 KB
criterion used
structure representation with all atoms labelled
0 references
Structural formula of acetonitrile.svg
163 × 38; 4 KB
criterion used
structure representation with labelled terminal carbon atoms
0 references
image of molecular model or crystal lattice model
Acetonitrile-3D-vdW.png
1,100 × 783; 137 KB
depicts
space-filling model
0 references
Acetonitrile-3D-balls.png
1,100 × 728; 99 KB
depicts
ball-and-stick model
0 references
associated hazard
acetonitrile exposure
1 reference
reference URL
http://www.cdc.gov/niosh/npg/npgd0006.html
chemical formula
C₂H₃N
1 reference
stated in
PubChem
PubChem CID
6342
language of work or name
English
title
ACETONITRILE
(English)
retrieved
19 October 2016
canonical SMILES
CC#N
1 reference
stated in
PubChem
PubChem CID
6342
language of work or name
English
title
ACETONITRILE
(English)
retrieved
19 October 2016
ionization energy
12.2
electronvolt
series ordinal
1
1 reference
reference URL
http://www.cdc.gov/niosh/npg/npgd0006.html
12.19
electronvolt
series ordinal
1
1 reference
stated in
Basic laboratory and industrial chemicals: A CRC quick reference handbook
electric dipole moment
3.924
debye
2 references
imported from Wikimedia project
Russian Wikipedia
stated in
Basic laboratory and industrial chemicals: A CRC quick reference handbook
standard enthalpy of formation
−40.6
kilojoule per mole
phase of matter
unknown value
1 reference
imported from Wikimedia project
Russian Wikipedia
molar fusion enthalpy
8.17
kilojoule per mole
temperature
unknown value
1 reference
imported from Wikimedia project
Russian Wikipedia
molar enthalpy of vaporization
29.8
kilojoule per mole
temperature
unknown value
1 reference
imported from Wikimedia project
Russian Wikipedia
density
0.78
gram per cubic centimetre
temperature
20
degree Celsius
phase of matter
liquid
1 reference
reference URL
http://www.cdc.gov/niosh/npg/npgd0006.html
melting point
−49
degree Fahrenheit
1 reference
reference URL
http://www.cdc.gov/niosh/npg/npgd0006.html
−46.49999999999997
degree Celsius
1 reference
stated in
Jean-Claude Bradley Open Melting Point Dataset
−47.99999999999997
degree Celsius
1 reference
stated in
Jean-Claude Bradley Open Melting Point Dataset
−43.83
degree Celsius
1 reference
stated in
Basic laboratory and industrial chemicals: A CRC quick reference handbook
boiling point
179
degree Fahrenheit
under pressure
760
torr
1 reference
reference URL
http://www.cdc.gov/niosh/npg/npgd0006.html
81.65
degree Celsius
under pressure
101.325
kilopascal
1 reference
stated in
Basic laboratory and industrial chemicals: A CRC quick reference handbook
dynamic viscosity
0.00035
poiseuille
temperature
unknown value
phase of matter
unknown value
1 reference
imported from Wikimedia project
Russian Wikipedia
surface tension
0.02664
newton per metre
temperature
unknown value
1 reference
imported from Wikimedia project
Russian Wikipedia
vapor pressure
73
millimetre of mercury
temperature
68
degree Fahrenheit
1 reference
reference URL
http://www.cdc.gov/niosh/npg/npgd0006.html
refractive index
1.346015
temperature
unknown value
wavelength
unknown value
1 reference
imported from Wikimedia project
Russian Wikipedia
flash point
42
degree Fahrenheit
determination method or standard
Cleveland open-cup method
1 reference
reference URL
http://www.cdc.gov/niosh/npg/npgd0006.html
autoignition temperature
524
degree Celsius
1 reference
imported from Wikimedia project
Russian Wikipedia
lower flammable limit
3
volume percent
1 reference
reference URL
http://www.cdc.gov/niosh/npg/npgd0006.html
upper flammable limit
16
volume percent
1 reference
reference URL
http://www.cdc.gov/niosh/npg/npgd0006.html
safety classification and labelling
NFPA 704: Standard System for the Identification of the Hazards of Materials for Emergency Response
NFPA Health
2
NFPA Fire
3
NFPA Instability
0
NFPA Special
no value
1 reference
imported from Wikimedia project
English Wikipedia
NIOSH Pocket Guide ID
0006
0 references
short-term exposure limit
60
parts per million
applies to jurisdiction
Australia
Finland
South Korea
Mexico
New Zealand
Sweden
United Kingdom
1 reference
reference URL
http://www.cdc.gov/niosh-rtecs/AL757E20.html
280
milligram per cubic metre
applies to jurisdiction
Hungary
1 reference
reference URL
http://www.cdc.gov/niosh-rtecs/AL757E20.html
140
milligram per cubic metre
applies to jurisdiction
Poland
1 reference
reference URL
http://www.cdc.gov/niosh-rtecs/AL757E20.html
time-weighted average exposure limit
34
milligram per cubic metre
applies to jurisdiction
no value
duration
10
hour
1 reference
reference URL
http://www.cdc.gov/niosh/npg/npgd0006.html
70
milligram per cubic metre
applies to jurisdiction
United States
Hungary
Netherlands
Poland
duration
8
hour
1 reference
reference URL
http://www.cdc.gov/niosh/npg/npgd0006.html
40
parts per million
applies to jurisdiction
Egypt
Australia
Denmark
Finland
France
South Korea
Mexico
New Zealand
Philippines
Turkey
United Kingdom
route of administration
skin absorption
1 reference
reference URL
http://www.cdc.gov/niosh-rtecs/AL757E20.html
20
parts per million
applies to jurisdiction
Belgium
route of administration
skin absorption
1 reference
reference URL
http://www.cdc.gov/niosh-rtecs/AL757E20.html
30
parts per million
applies to jurisdiction
Norway
Sweden
1 reference
reference URL
http://www.cdc.gov/niosh-rtecs/AL757E20.html
10
milligram per cubic metre
applies to jurisdiction
Russia
1 reference
reference URL
http://www.cdc.gov/niosh-rtecs/AL757E20.html
immediately dangerous to life or health
840
milligram per cubic metre
1 reference
reference URL
http://www.cdc.gov/niosh/npg/npgd0006.html
minimal lethal dose
16,000
parts per million
duration
4
hour
route of administration
inhalation
applies to taxon
dog
1 reference
reference URL
http://www.cdc.gov/niosh-rtecs/AL757E20.html
160
parts per million
duration
4
hour
route of administration
inhalation
applies to taxon
human
1 reference
reference URL
http://www.cdc.gov/niosh-rtecs/AL757E20.html
9,100
milligram per kilogram
route of administration
subcutaneous injection
applies to taxon
frog
1 reference
reference URL
http://www.cdc.gov/niosh-rtecs/AL757E20.html
105
milligram per kilogram
route of administration
subcutaneous injection
applies to taxon
rabbit
1 reference
reference URL
http://www.cdc.gov/niosh-rtecs/AL757E20.html
median lethal concentration (LC50)
18
gram per cubic metre
route of administration
inhalation
applies to taxon
house cat
1 reference
reference URL
http://www.cdc.gov/niosh-rtecs/AL757E20.html
5,655
parts per million
route of administration
inhalation
duration
4
hour
applies to taxon
guinea pig
1 reference
reference URL
http://www.cdc.gov/niosh-rtecs/AL757E20.html
2,693
parts per million
duration
1
hour
route of administration
inhalation
applies to taxon
laboratory mouse
1 reference
reference URL
http://www.cdc.gov/niosh-rtecs/AL757E20.html
7,551
parts per million
duration
8
hour
route of administration
inhalation
applies to taxon
laboratory rat
1 reference
reference URL
http://www.cdc.gov/niosh-rtecs/AL757E20.html
17,100
parts per million
duration
4
hour
route of administration
inhalation
applies to taxon
laboratory rat
1 reference
reference URL
http://www.cdc.gov/niosh-rtecs/AL757E20.html
7,500
parts per million
route of administration
inhalation
applies to taxon
laboratory rat
1 reference
reference URL
http://www.cdc.gov/niosh-rtecs/AL757E20.html
2,828
parts per million
route of administration
inhalation
duration
4
hour
applies to taxon
rabbit
1 reference
reference URL
http://www.cdc.gov/niosh-rtecs/AL757E20.html
median lethal dose (LD50)
175
milligram per kilogram
route of administration
intraperitoneal injection
applies to taxon
laboratory mouse
1 reference
reference URL
http://www.cdc.gov/niosh-rtecs/AL757E20.html
850
milligram per kilogram
route of administration
intraperitoneal injection
applies to taxon
laboratory rat
1 reference
reference URL
http://www.cdc.gov/niosh-rtecs/AL757E20.html
612
milligram per kilogram
route of administration
intravenous injection
applies to taxon
laboratory mouse
1 reference
reference URL
http://www.cdc.gov/niosh-rtecs/AL757E20.html
1,680
milligram per kilogram
route of administration
intravenous injection
applies to taxon
laboratory rat
1 reference
reference URL
http://www.cdc.gov/niosh-rtecs/AL757E20.html
200
milligram per kilogram
route of administration
oral administration
applies to taxon
house cat
1 reference
reference URL
http://www.cdc.gov/niosh-rtecs/AL757E20.html
177
milligram per kilogram
route of administration
oral administration
applies to taxon
guinea pig
1 reference
reference URL
http://www.cdc.gov/niosh-rtecs/AL757E20.html
1,670
milligram per kilogram
route of administration
oral administration
applies to taxon
mammal
1 reference
reference URL
http://www.cdc.gov/niosh-rtecs/AL757E20.html
269
milligram per kilogram
route of administration
oral administration
applies to taxon
laboratory mouse
1 reference
reference URL
http://www.cdc.gov/niosh-rtecs/AL757E20.html
2,460
milligram per kilogram
route of administration
oral administration
applies to taxon
laboratory rat
1 reference
reference URL
http://www.cdc.gov/niosh-rtecs/AL757E20.html
50
milligram per kilogram
route of administration
oral administration
applies to taxon
rabbit
1 reference
reference URL
http://www.cdc.gov/niosh-rtecs/AL757E20.html
1,100
milligram per kilogram
applies to taxon
laboratory rat
route of administration
parenteral route of administration
1 reference
reference URL
http://www.cdc.gov/niosh-rtecs/AL757E20.html
4,480
milligram per kilogram
route of administration
subcutaneous injection
applies to taxon
laboratory mouse
1 reference
reference URL
http://www.cdc.gov/niosh-rtecs/AL757E20.html
1,900
milligram per kilogram
route of administration
subcutaneous injection
applies to taxon
laboratory rat
1 reference
reference URL
http://www.cdc.gov/niosh-rtecs/AL757E20.html
980
milligram per kilogram
route of administration
skin absorption
applies to taxon
rabbit
1 reference
reference URL
http://www.cdc.gov/niosh-rtecs/AL757E20.html
53,000
parts per million
duration
30
minute
applies to taxon
laboratory rat
1 reference
reference URL
http://www.cdc.gov/niosh/idlh/75058.html
mass
41.027
dalton
1 reference
stated in
PubChem
PubChem CID
6342
language of work or name
English
title
ACETONITRILE
(English)
retrieved
19 October 2016
described by source
The Encyclopedia Americana
statement is subject of
The Encyclopedia Americana (1920)/Ac′etoni′trile
0 references
has characteristic
Class IB flammable liquid
1 reference
reference URL
http://www.cdc.gov/niosh/npg/npgd0006.html
subject has role
mutagen
1 reference
reference URL
http://www.cdc.gov/niosh-rtecs/AL757E20.html
has part(s)
nitrogen
0 references
carbon
0 references
different from
2-oxopropiononitrile
1 reference
imported from Wikimedia project
English Wikipedia
Wikimedia import URL
https://en.wikipedia.org/w/index.php?title=Acetonitrile&oldid=949128158
Commons category
Acetonitrile
0 references
Identifiers
GND ID
4141247-3
1 reference
imported from Wikimedia project
German Wikipedia
J9U ID
987007293982905171
1 reference
stated in
National Library of Israel Names and Subjects Authority File
Library of Congress authority ID
sh85000464
subject named as
Acetonitrile
1 reference
stated in
Integrated Authority File
InChI
InChI=1S/C2H3N/c1-2-3/h1H3
1 reference
stated in
PubChem
PubChem CID
6342
language of work or name
English
title
ACETONITRILE
(English)
retrieved
19 October 2016
InChIKey
WEVYAHXRMPXWCK-UHFFFAOYSA-N
2 references
stated in
PubChem
PubChem CID
6342
language of work or name
English
title
ACETONITRILE
(English)
retrieved
19 October 2016
stated in
ChEBI release 2020-09-01
CAS Registry Number
75-05-8
2 references
stated in
Global Substance Registration System
UNII
Z072SB282N
language of work or name
English
title
acetonitrile
(English)
retrieved
19 October 2016
InChIKey
WEVYAHXRMPXWCK-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
8 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=75-05-8
ChemSpider ID
6102
1 reference
stated in
ChemSpider
ChemSpider ID
6102
language of work or name
English
title
Acetonitrile
(English)
retrieved
19 October 2016
PubChem CID
6342
2 references
stated in
PubChem
PubChem CID
6342
language of work or name
English
title
ACETONITRILE
(English)
retrieved
19 October 2016
matched by identifier from
InChIKey
InChIKey
WEVYAHXRMPXWCK-UHFFFAOYSA-N
Reaxys registry number
741857
1 reference
stated in
ChEBI
ChEBI ID
38472
language of work or name
English
title
acetonitrile
(English)
retrieved
19 October 2016
Gmelin number
895
0 references
ChEBI ID
38472
mapping relation type
exact match
3 references
stated in
ChEBI
ChEBI ID
38472
language of work or name
English
title
acetonitrile
(English)
retrieved
19 October 2016
stated in
ChEBI release 2019-10-02
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C2H3N/c1-2-3/h1H3
ChEMBL ID
CHEMBL45211
1 reference
stated in
ChEMBL
ChEMBL ID
CHEMBL45211
language of work or name
English
title
ACETONITRILE
(English)
retrieved
19 October 2016
UniChem compound ID
127360
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-Fac_Eng_Univ_Tokyo-JP002569
0 references
MSBNK-Fac_Eng_Univ_Tokyo-JP003999
0 references
MSBNK-Fac_Eng_Univ_Tokyo-JP004294
0 references
MSBNK-Fac_Eng_Univ_Tokyo-JP008058
0 references
SPLASH
splash10-0006-9000000000-bf970518821dd2c06001
0 references
splash10-0006-9000000000-6af7455c7bc61c954070
0 references
splash10-0006-9000000000-836514fd6b54edefa88e
0 references
splash10-0006-9000000000-6fc27dfe150133064baf
0 references
splash10-0006-9000000000-cd6d214b3e1074a859f8
0 references
NMRShiftDB structure ID
10017065
1 reference
matched by identifier from
InChIKey
InChIKey
WEVYAHXRMPXWCK-UHFFFAOYSA-N
ICSC ID
0088
0 references
CAMEO Chemicals ID
11
0 references
UN number
1648
1 reference
imported from Wikimedia project
English Wikipedia
Kemler code
33
0 references
RTECS number
AL7700000
1 reference
imported from Wikimedia project
Spanish Wikipedia
ZVG number
13660
1 reference
imported from Wikimedia project
German Wikipedia
HSDB ID
42
1 reference
stated in
Hazardous Substances Data Bank
HSDB ID
42
publication date
28 October 2019
title
ACETONITRILE
(English)
retrieved
10 May 2021
DSSTox substance ID
DTXSID7020009
2 references
stated in
Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard
matched by identifier from
InChIKey
InChIKey
WEVYAHXRMPXWCK-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID909
0 references
NSC number
7593
0 references
EC number
200-835-2
1 reference
stated in
Global Substance Registration System
UNII
Z072SB282N
language of work or name
English
title
acetonitrile
(English)
retrieved
19 October 2016
ECHA Substance Infocard ID
100.000.760
1 reference
stated in
ECHA Substance Infocard database
ECHA Substance Infocard ID
100.000.760
retrieved
27 December 2018
title
Acetonitrile
(English)
quotation
CAS no.: 75-05-8
(English)
OSHA Occupational Chemical Database ID
569
0 references
PesticideInfo chemical ID
PRI789
0 references
UM-BBD compound ID
c1151
0 references
Human Metabolome Database ID
HMDB0061869
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
WEVYAHXRMPXWCK-UHFFFAOYSA-N
KNApSAcK ID
C00058831
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
WEVYAHXRMPXWCK-UHFFFAOYSA-N
UNII
Z072SB282N
2 references
stated in
Global Substance Registration System
UNII
Z072SB282N
language of work or name
English
title
acetonitrile
(English)
retrieved
19 October 2016
matched by identifier from
InChIKey
InChIKey
WEVYAHXRMPXWCK-UHFFFAOYSA-N
PDB ligand ID
CCN
0 references
Encyclopædia Britannica Online ID
science/acetonitrile
subject named as
acetonitrile
0 references
Encyclopedia of China (Third Edition) ID
120781
0 references
Freebase ID
/m/0h5cx
1 reference
stated in
Freebase Data Dumps
publication date
28 October 2013
Gran Enciclopèdia Catalana ID
acetonitril
0 references
Gran Enciclopèdia Catalana ID (former scheme)
0074274
0 references
Great Russian Encyclopedia Online ID (old version)
1842956
subject named as
АЦЕТОНИТРИЛ
0 references
HCIS ID
61
0 references
Lex ID
acetonitril
0 references
Microsoft Academic ID
2777463227
0 references
NALT ID
221894
0 references
OpenAlex ID
C2777463227
subject named as
Acetonitrile
1 reference
stated in
OpenAlex
retrieved
26 January 2022
reference URL
https://docs.openalex.org/download-snapshot/snapshot-data-format
C2909862400
subject named as
Acetonitriles
reason for deprecated rank
applies to other chemical entity
intended subject of deprecated statement
acetonitriles
1 reference
stated in
OpenAlex
retrieved
26 January 2022
reference URL
https://docs.openalex.org/download-snapshot/snapshot-data-format
PDB structure ID
4C01
1 reference
stated in
Protein Data Bank
PDB structure ID
4C01
language of work or name
English
title
4C01
(English)
retrieved
19 October 2016
3SBN
1 reference
stated in
Protein Data Bank
PDB structure ID
3SBN
language of work or name
English
title
3SBN
(English)
retrieved
19 October 2016
4BZZ
1 reference
stated in
Protein Data Bank
PDB structure ID
4BZZ
language of work or name
English
title
4BZZ
(English)
retrieved
19 October 2016
2PMJ
1 reference
stated in
Protein Data Bank
PDB structure ID
2PMJ
language of work or name
English
title
2PMJ
(English)
retrieved
19 October 2016
2FOV
1 reference
stated in
Protein Data Bank
PDB structure ID
2FOV
language of work or name
English
title
2FOV
(English)
retrieved
19 October 2016
3IIQ
1 reference
stated in
Protein Data Bank
PDB structure ID
3IIQ
language of work or name
English
title
3IIQ
(English)
retrieved
19 October 2016
1V03
1 reference
stated in
Protein Data Bank
PDB structure ID
1V03
language of work or name
English
title
1V03
(English)
retrieved
19 October 2016
4END
1 reference
stated in
Protein Data Bank
PDB structure ID
4END
language of work or name
English
title
4END
(English)
retrieved
19 October 2016
1F8Q
1 reference
stated in
Protein Data Bank
PDB structure ID
1F8Q
language of work or name
English
title
1F8Q
(English)
retrieved
19 October 2016
1M24
1 reference
stated in
Protein Data Bank
PDB structure ID
1M24
language of work or name
English
title
1M24
(English)
retrieved
19 October 2016
3LYO
1 reference
stated in
Protein Data Bank
PDB structure ID
3LYO
language of work or name
English
title
3LYO
(English)
retrieved
19 October 2016
1BE6
1 reference
stated in
Protein Data Bank
PDB structure ID
1BE6
language of work or name
English
title
1BE6
(English)
retrieved
19 October 2016
1FJU
1 reference
stated in
Protein Data Bank
PDB structure ID
1FJU
language of work or name
English
title
1FJU
(English)
retrieved
19 October 2016
1AMT
1 reference
stated in
Protein Data Bank
PDB structure ID
1AMT
language of work or name
English
title
1AMT
(English)
retrieved
19 October 2016
1CNM
1 reference
stated in
Protein Data Bank
PDB structure ID
1CNM
language of work or name
English
title
1CNM
(English)
retrieved
19 October 2016
2PGR
1 reference
stated in
Protein Data Bank
PDB structure ID
2PGR
language of work or name
English
title
2PGR
(English)
retrieved
19 October 2016
4YU6
1 reference
stated in
Protein Data Bank
PDB structure ID
4YU6
language of work or name
English
title
4YU6
(English)
retrieved
19 October 2016
2LYO
1 reference
stated in
Protein Data Bank
PDB structure ID
2LYO
language of work or name
English
title
2LYO
(English)
retrieved
19 October 2016
1BFK
1 reference
stated in
Protein Data Bank
PDB structure ID
1BFK
language of work or name
English
title
1BFK
(English)
retrieved
19 October 2016
1SCB
1 reference
stated in
Protein Data Bank
PDB structure ID
1SCB
language of work or name
English
title
1SCB
(English)
retrieved
19 October 2016
2OTH
1 reference
stated in
Protein Data Bank
PDB structure ID
2OTH
language of work or name
English
title
2OTH
(English)
retrieved
19 October 2016
4EIX
1 reference
stated in
Protein Data Bank
PDB structure ID
4EIX
language of work or name
English
title
4EIX
(English)
retrieved
19 October 2016
2PYC
1 reference
stated in
Protein Data Bank
PDB structure ID
2PYC
language of work or name
English
title
2PYC
(English)
retrieved
19 October 2016
2WUV
1 reference
stated in
Protein Data Bank
PDB structure ID
2WUV
language of work or name
English
title
2WUV
(English)
retrieved
19 October 2016
2WUW
1 reference
stated in
Protein Data Bank
PDB structure ID
2WUW
language of work or name
English
title
2WUW
(English)
retrieved
19 October 2016
2PGF
1 reference
stated in
Protein Data Bank
PDB structure ID
2PGF
language of work or name
English
title
2PGF
(English)
retrieved
19 October 2016
Quora topic ID
Acetonitrile
1 reference
stated in
Quora
Yale LUX ID
concept/536395ad-d099-43dc-a085-8c96751846b8
0 references
Sitelinks
Wikipedia
(40 entries)
edit
arwiki
أسيتونتريل
azbwiki
استونیتریل
cawiki
Acetonitril
cswiki
Acetonitril
dawiki
Acetonitril
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Acetonitril
elwiki
Αιθανονιτρίλιο
enwiki
Acetonitrile
eowiki
Acetonitrilo
eswiki
Acetonitrilo
etwiki
Atsetonitriil
euwiki
Azetonitrilo
fawiki
استونیتریل
fiwiki
Asetonitriili
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Acétonitrile
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Acetonitrilo
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אצטוניטריל
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एसिटोनाइट्रिल
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Acetonitril
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Asetonitril
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Acetonitrile
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アセトニトリル
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아세토나이트릴
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Ацетонитрил
nlwiki
Acetonitril
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Acetonitril
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Acetonitryl
ptwiki
Acetonitrila
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Acetonitril
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Ацетонитрил
shwiki
Acetonitril
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Acetonitrile
skwiki
Acetonitril
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Acetonitril
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Acetonitril
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Acetonitril
trwiki
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Ацетонітрил
viwiki
Acetonitrile
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Multilingual sites
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commonswiki
Category:Acetonitrile
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