BENZONITRILE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C7H5N
Molecular Weight	103.1213
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

SMILES

N#CC1=CC=CC=C1

InChI

InChIKey=JFDZBHWFFUWGJE-UHFFFAOYSA-N

InChI=1S/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H

HIDE SMILES / InChI

Molecular Formula	C7H5N
Molecular Weight	103.1213
Charge	0
Count	MOL RATIO 1 MOL RATIO (average)

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

PubMed

Show entries

Title	Date	PubMed
Metabolism of benzonitrile and butyronitrile by Klebsiella pneumoniae.	1992 Jan	1539979
[Spectral analysis on self-assembly ultrathin film of polyaminobenzonitrile].	2001 Apr	12947618
Studies on intra-supramolecular and intermolecular electron-transfer processes between zinc naphthalocyanine and imidazole-appended fullerene.	2003 Apr 14	12785261
The cyanide hydratase enzyme of Fusarium lateritium also has nitrilase activity.	2003 Apr 25	12725921
Synthesis of novel tri- and tetrasubstituted C18 furan fatty esters.	2003 Dec	14870934

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Substance Class	Chemical
Record UNII	9V9APP5H5S
Record Status	`Validated (UNII)`
Record Version

Show entries

Name

Type

Language

BENZONITRILE

Systematic Name

English

BENZONITRILE [HSDB]

Common Name

English

CYANOBENZENE

Systematic Name

English

NSC-8039

Code

English

BENZONITRILE [MI]

Common Name

English

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Code System

Code

Type

Description

HSDB

45

PRIMARY

ECHA (EC/EINECS)

202-855-7

PRIMARY

FDA UNII

9V9APP5H5S

PRIMARY

NSC

8039

PRIMARY

MERCK INDEX

m2369

PRIMARY

Merck Index

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Related Record

Type

Details


					50LFG02TXD

ESKETAMINE

other

Amount:

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SMILES

InChI

Approval Year

PubMed

Patents