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benzonitrile
(Q412567)
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From Wikidata
chemical compound
C6H5-CN
benzoic acid nitrile
benzenenitrile
edit
Language
Label
Description
Also known as
default for all languages
No label defined
–
English
benzonitrile
chemical compound
C6H5-CN
benzoic acid nitrile
benzenenitrile
Statements
instance of
type of chemical entity
0 references
subclass of
nitrile
0 references
phenyl compound
0 references
part of
benzonitrile metabolic process
subject has role
participant
1 reference
stated in
Gene Ontology release 2019-11-16
chemical structure
Benzonitrile structure.svg
420 × 318; 5 KB
1 reference
imported from Wikimedia project
German Wikipedia
mass
103.042
dalton
1 reference
stated in
PubChem
PubChem CID
7505
language of work or name
English
title
BENZONITRILE
(English)
retrieved
5 October 2016
chemical formula
C₇H₅N
1 reference
stated in
PubChem
PubChem CID
7505
language of work or name
English
title
BENZONITRILE
(English)
retrieved
5 October 2016
canonical SMILES
C1=CC=C(C=C1)C#N
1 reference
stated in
PubChem
PubChem CID
7505
language of work or name
English
title
BENZONITRILE
(English)
retrieved
5 October 2016
ionization energy
9.62
electronvolt
series ordinal
1
1 reference
stated in
Basic laboratory and industrial chemicals: A CRC quick reference handbook
electric dipole moment
4.18
debye
1 reference
stated in
Basic laboratory and industrial chemicals: A CRC quick reference handbook
melting point
−13.0
degree Celsius
1 reference
stated in
Jean-Claude Bradley Open Melting Point Dataset
−12.75
degree Celsius
1 reference
stated in
Basic laboratory and industrial chemicals: A CRC quick reference handbook
boiling point
191.15
degree Celsius
under pressure
101.325
kilopascal
1 reference
stated in
Basic laboratory and industrial chemicals: A CRC quick reference handbook
safety classification and labelling
NFPA 704: Standard System for the Identification of the Hazards of Materials for Emergency Response
NFPA Health
3
NFPA Fire
2
NFPA Instability
0
NFPA Special
no value
1 reference
imported from Wikimedia project
English Wikipedia
found in taxon
Arctostaphylos uva-ursi
1 reference
stated in
Comparative study of the leaf volatiles of Arctostaphylos uva-ursi (L.) Spreng. and Vaccinium vitis-idaea L. (Ericaceae).
Commons category
Benzonitrile
0 references
Identifiers
GND ID
4144554-5
1 reference
imported from Wikimedia project
German Wikipedia
InChI
InChI=1S/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H
1 reference
stated in
PubChem
PubChem CID
7505
language of work or name
English
title
BENZONITRILE
(English)
retrieved
5 October 2016
InChIKey
JFDZBHWFFUWGJE-UHFFFAOYSA-N
2 references
stated in
PubChem
PubChem CID
7505
language of work or name
English
title
BENZONITRILE
(English)
retrieved
5 October 2016
stated in
ChEBI release 2020-09-01
CAS Registry Number
100-47-0
2 references
stated in
ChEBI
ChEBI ID
27991
language of work or name
English
title
benzonitrile
(English)
retrieved
5 October 2016
InChIKey
JFDZBHWFFUWGJE-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=100-47-0
ChemSpider ID
7224
1 reference
stated in
ChemSpider
ChemSpider ID
7224
language of work or name
English
title
Benzonitrile
(English)
retrieved
5 October 2016
PubChem CID
7505
2 references
stated in
PubChem
PubChem CID
7505
language of work or name
English
title
BENZONITRILE
(English)
retrieved
5 October 2016
matched by identifier from
InChIKey
InChIKey
JFDZBHWFFUWGJE-UHFFFAOYSA-N
Reaxys registry number
506893
1 reference
stated in
ChEBI
ChEBI ID
27991
language of work or name
English
title
benzonitrile
(English)
retrieved
5 October 2016
Gmelin number
2653
0 references
ChEBI ID
27991
mapping relation type
exact match
2 references
stated in
ChEBI
ChEBI ID
27991
language of work or name
English
title
benzonitrile
(English)
retrieved
5 October 2016
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H
ChEMBL ID
CHEMBL15819
1 reference
stated in
ChEMBL
ChEMBL ID
CHEMBL15819
language of work or name
English
title
BENZONITRILE
(English)
retrieved
5 October 2016
SureChEMBL ID
SCHEMBL6640
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
JFDZBHWFFUWGJE-UHFFFAOYSA-N
UniChem compound ID
101514
1 reference
stated in
UniChem
CCDC Number
1118351
1 reference
stated in
Cambridge Structural Database
retrieved
10 January 2023
based on heuristic
InChIKey match
CSD Refcode
BZONTR
1 reference
stated in
Cambridge Structural Database
retrieved
10 January 2023
based on heuristic
InChIKey match
MassBank accession ID
MSBNK-Fac_Eng_Univ_Tokyo-JP002573
0 references
MSBNK-Fac_Eng_Univ_Tokyo-JP010475
0 references
MSBNK-Fac_Eng_Univ_Tokyo-JP003545
0 references
MSBNK-Fac_Eng_Univ_Tokyo-JP005667
0 references
MSBNK-Fac_Eng_Univ_Tokyo-JP008059
0 references
SPLASH
splash10-003s-9000000000-06fca1d207820656ef9a
0 references
splash10-0ufr-9700000000-8050afa6cc9ac952013b
0 references
splash10-0udi-3900000000-b00c11fc42a8a2563124
0 references
splash10-0udi-9300000000-1a24ace18d57f2a6713b
0 references
splash10-00di-9000000000-6ac90d455cfdec9115d8
0 references
splash10-0udi-0900000000-d4c7faab0f209a8c6868
0 references
splash10-0udi-0900000000-d061e3e41fc5107b4784
0 references
splash10-0udi-0900000000-c9d7c714bcf4f5579ef3
0 references
splash10-0udi-0900000000-3bc83aa336bbe0a8257e
0 references
splash10-0udi-2900000000-aa9b10960fb2a03111f5
0 references
splash10-0udi-4900000000-e16f8bb3ab535d3b789c
0 references
splash10-0fb9-9800000000-7f2b946f7845f493e509
0 references
splash10-004i-9200000000-e7d5990807c1201b2896
0 references
splash10-004i-9000000000-695edf453363a989236b
0 references
splash10-0udi-0900000000-74a1a056fd484876efd2
0 references
splash10-0udi-3900000000-791150ed0a88f9408388
0 references
splash10-0ufr-7900000000-6f7f76ee17b8d8954eaa
0 references
splash10-004i-9000000000-4a8521698aeff106f7ce
0 references
splash10-004i-9000000000-f9f30a66e3bafd25e8e2
0 references
ICSC ID
1103
0 references
CAMEO Chemicals ID
2590
0 references
RTECS number
DI2450000
1 reference
imported from Wikimedia project
Spanish Wikipedia
ZVG number
26150
1 reference
imported from Wikimedia project
German Wikipedia
HSDB ID
45
1 reference
stated in
Hazardous Substances Data Bank
HSDB ID
45
publication date
28 October 2019
title
BENZONITRILE
(English)
retrieved
10 May 2021
DSSTox substance ID
DTXSID7021491
2 references
stated in
Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard
matched by identifier from
InChIKey
InChIKey
JFDZBHWFFUWGJE-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID001491
0 references
NSC number
8039
0 references
EC number
202-855-7
1 reference
stated in
Global Substance Registration System
UNII
9V9APP5H5S
language of work or name
English
title
BENZONITRILE
(English)
retrieved
5 October 2016
ECHA Substance Infocard ID
100.002.596
1 reference
stated in
ECHA Substance Infocard database
ECHA Substance Infocard ID
100.002.596
retrieved
27 December 2018
title
Benzonitrile
(English)
quotation
CAS no.: 100-47-0
(English)
CosIng number
39219
1 reference
stated in
CosIng database
CosIng number
39219
retrieved
28 December 2019
title
BENZONITRILE
(English)
quotation
CAS no.: 100-47-0
(English)
Cannabis Database ID
000563
1 reference
stated in
Cannabis Database
Nikkaji ID
J3.590D
0 references
UM-BBD compound ID
c0367
0 references
UNII
9V9APP5H5S
2 references
stated in
Global Substance Registration System
UNII
9V9APP5H5S
language of work or name
English
title
BENZONITRILE
(English)
retrieved
5 October 2016
matched by identifier from
InChIKey
InChIKey
JFDZBHWFFUWGJE-UHFFFAOYSA-N
KEGG ID
C09814
1 reference
imported from Wikimedia project
English Wikipedia
Freebase ID
/m/036h7p
1 reference
stated in
Freebase Data Dumps
publication date
28 October 2013
Gran Enciclopèdia Catalana ID
benzonitril
0 references
Gran Enciclopèdia Catalana ID (former scheme)
0084077
0 references
HCIS ID
447
0 references
J-GLOBAL ID
200907065792558105
0 references
Microsoft Academic ID
2779953769
0 references
OpenAlex ID
C2779953769
1 reference
stated in
OpenAlex
retrieved
26 January 2022
reference URL
https://docs.openalex.org/download-snapshot/snapshot-data-format
Römpp online ID
RD-02-00875
1 reference
imported from Wikimedia project
German Wikipedia
Sitelinks
Wikipedia
(27 entries)
edit
afwiki
Bensonitriel
arwiki
بنزونيتريل
azbwiki
بنزونیتریل
dawiki
Benzonitril
dewiki
Benzonitril
elwiki
Βενζονιτρίλιο
enwiki
Benzonitrile
eowiki
Benzonitrilo
eswiki
Benzonitrilo
fawiki
بنزونیتریل
fiwiki
Bentsonitriili
frwiki
Benzonitrile
huwiki
Benzonitril
idwiki
Benzonitril
itwiki
Benzonitrile
jawiki
ベンゾニトリル
nlwiki
Benzonitril
plwiki
Benzonitryl
ptwiki
Benzonitrila
rowiki
Benzonitril
shwiki
Benzonitril
skwiki
Benzonitril
srwiki
Benzonitril
tawiki
பென்சோநைட்ரைல்
ukwiki
Бензонітрил
viwiki
Benzonitril
zhwiki
苯甲腈
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(0 entries)
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(0 entries)
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(0 entries)
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Wikivoyage
(0 entries)
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Wiktionary
(0 entries)
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Multilingual sites
(1 entry)
edit
commonswiki
Category:Benzonitrile
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