U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C10H5ClN2
Molecular Weight 188.613
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of O-CHLOROBENZYLIDENEMALONONITRILE

SMILES

ClC1=C(C=C(C#N)C#N)C=CC=C1

InChI

InChIKey=JJNZXLAFIPKXIG-UHFFFAOYSA-N
InChI=1S/C10H5ClN2/c11-10-4-2-1-3-9(10)5-8(6-12)7-13/h1-5H

HIDE SMILES / InChI

Molecular Formula C10H5ClN2
Molecular Weight 188.613
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
An evaluation of the relative potential public health concern for the self-defense spray active ingredients oleoresin capsicum, o-chlorobenzylidene malononitrile, and 2-chloroacetophenone.
2002 Aug
Liberation of hydrogen cyanide and hydrogen chloride during high-temperature dispersion of CS riot control agent.
2002 Jul-Aug
Investigation of accidental secondary exposure to CS agent.
2007 May
2-Amino-4-(2-chloro-phen-yl)-5,10-dioxo-5,10-dihydro-4H-benzo[g]chromene-3-carbonitrile.
2008 Dec 3
Tear gasses CN, CR, and CS are potent activators of the human TRPA1 receptor.
2008 Sep 1
Lesions in the Larynx of Wistar RccHan: WIST Rats.
2009 Dec
Acute laryngeal and bronchial obstruction after CS (o-chlorobenzylidenemalononitrile) gas inhalation.
2009 Feb
Educating on CS or 'tear gas'.
2010 Nov
A study for health hazard evaluation of methylene chloride evaporated from the tear gas mixture.
2010 Sep
Substance Class Chemical
Created
by admin
on Fri Dec 15 18:56:09 GMT 2023
Edited
by admin
on Fri Dec 15 18:56:09 GMT 2023
Record UNII
D8317IAV7Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
O-CHLOROBENZYLIDENEMALONONITRILE
MI  
Common Name English
PROPANEDINITRILE, ((2-CHLOROPHENYL)METHYLENE)-
Systematic Name English
CHLOROBENZALMALONITRILE, O-
Systematic Name English
O-CHLOROBENZYLIDENE MALONONITRILE
Common Name English
O-CHLOROBENZALMALONONITRILE
Common Name English
2-((2-CHLOROPHENYL)METHYLENE)PROPANEDINITRILE
Systematic Name English
2-CHLOROBENZALMALONONITRILE [HSDB]
Common Name English
NSC-542
Code English
.BETA.,.BETA.-DICYANO-O-CHLOROSTYRENE
Common Name English
NCI-C55118
Code English
O-CHLOROBENZYLIDENEMALONONITRILE [MI]
Common Name English
2-CHLOROBENZYLIDENEMALONONITRILE
Systematic Name English
Code System Code Type Description
CAS
2698-41-1
Created by admin on Fri Dec 15 18:56:09 GMT 2023 , Edited by admin on Fri Dec 15 18:56:09 GMT 2023
PRIMARY
EPA CompTox
DTXSID9020297
Created by admin on Fri Dec 15 18:56:09 GMT 2023 , Edited by admin on Fri Dec 15 18:56:09 GMT 2023
PRIMARY
WIKIPEDIA
CS gas
Created by admin on Fri Dec 15 18:56:09 GMT 2023 , Edited by admin on Fri Dec 15 18:56:09 GMT 2023
PRIMARY
NSC
542
Created by admin on Fri Dec 15 18:56:09 GMT 2023 , Edited by admin on Fri Dec 15 18:56:09 GMT 2023
PRIMARY
MERCK INDEX
m3398
Created by admin on Fri Dec 15 18:56:09 GMT 2023 , Edited by admin on Fri Dec 15 18:56:09 GMT 2023
PRIMARY Merck Index
FDA UNII
D8317IAV7Q
Created by admin on Fri Dec 15 18:56:09 GMT 2023 , Edited by admin on Fri Dec 15 18:56:09 GMT 2023
PRIMARY
HSDB
4346
Created by admin on Fri Dec 15 18:56:09 GMT 2023 , Edited by admin on Fri Dec 15 18:56:09 GMT 2023
PRIMARY
PUBCHEM
17604
Created by admin on Fri Dec 15 18:56:09 GMT 2023 , Edited by admin on Fri Dec 15 18:56:09 GMT 2023
PRIMARY
ECHA (EC/EINECS)
220-278-9
Created by admin on Fri Dec 15 18:56:09 GMT 2023 , Edited by admin on Fri Dec 15 18:56:09 GMT 2023
PRIMARY