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

Details

Stereochemistry ACHIRAL
Molecular Formula C7H6Cl2
Molecular Weight 161.029
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BENZAL CHLORIDE

SMILES

ClC(Cl)C1=CC=CC=C1

InChI

InChIKey=CAHQGWAXKLQREW-UHFFFAOYSA-N
InChI=1S/C7H6Cl2/c8-7(9)6-4-2-1-3-5-6/h1-5,7H

HIDE SMILES / InChI

Molecular Formula C7H6Cl2
Molecular Weight 161.029
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Carcinogenicity of benzyl chloride, benzal chloride, benzotrichloride and benzoyl chloride in mice by skin application.
1981 Oct
Organometallic coordination polymers generated from bent Bis(acetylenylphenyl)oxadiazole ligands and Ag(I) salts.
2005 Sep 19
FTIR and FT Raman spectra, vibrational assignments, ab initio, DFT and normal coordinate analysis of alpha,alpha dichlorotoluene.
2009 Jul 15
One scaffold, three binding modes: novel and selective pteridine reductase 1 inhibitors derived from fragment hits discovered by virtual screening.
2009 Jul 23
Synthesis and characterization of a heteroleptic Ru(II) complex of phenanthroline containing oligo-anthracenyl carboxylic acid moieties.
2010 Sep 8
Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 17:24:09 GMT 2023
Edited
by admin
on Fri Dec 15 17:24:09 GMT 2023
Record UNII
222447TR16
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENZAL CHLORIDE
HSDB   MI  
Systematic Name English
BENZAL CHLORIDE [HSDB]
Common Name English
NSC-7915
Code English
(DICHLOROMETHYL)BENZENE
Systematic Name English
.ALPHA.,.ALPHA.-DICHLOROTOLUENE
Systematic Name English
BENZAL CHLORIDE [MI]
Common Name English
Code System Code Type Description
MESH
C032732
Created by admin on Fri Dec 15 17:24:09 GMT 2023 , Edited by admin on Fri Dec 15 17:24:09 GMT 2023
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FDA UNII
222447TR16
Created by admin on Fri Dec 15 17:24:09 GMT 2023 , Edited by admin on Fri Dec 15 17:24:09 GMT 2023
PRIMARY
MERCK INDEX
m2329
Created by admin on Fri Dec 15 17:24:09 GMT 2023 , Edited by admin on Fri Dec 15 17:24:09 GMT 2023
PRIMARY Merck Index
WIKIPEDIA
BENZAL CHLORIDE
Created by admin on Fri Dec 15 17:24:09 GMT 2023 , Edited by admin on Fri Dec 15 17:24:09 GMT 2023
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PUBCHEM
7411
Created by admin on Fri Dec 15 17:24:09 GMT 2023 , Edited by admin on Fri Dec 15 17:24:09 GMT 2023
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CAS
98-87-3
Created by admin on Fri Dec 15 17:24:09 GMT 2023 , Edited by admin on Fri Dec 15 17:24:09 GMT 2023
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ECHA (EC/EINECS)
202-709-2
Created by admin on Fri Dec 15 17:24:09 GMT 2023 , Edited by admin on Fri Dec 15 17:24:09 GMT 2023
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HSDB
5322
Created by admin on Fri Dec 15 17:24:09 GMT 2023 , Edited by admin on Fri Dec 15 17:24:09 GMT 2023
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NSC
7915
Created by admin on Fri Dec 15 17:24:09 GMT 2023 , Edited by admin on Fri Dec 15 17:24:09 GMT 2023
PRIMARY
EPA CompTox
DTXSID6025014
Created by admin on Fri Dec 15 17:24:09 GMT 2023 , Edited by admin on Fri Dec 15 17:24:09 GMT 2023
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