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

Details

Stereochemistry ACHIRAL
Molecular Formula C8H6Cl2O
Molecular Weight 189.039
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(CHLOROMETHYL)BENZOYL CHLORIDE

SMILES

ClCC1=CC=C(C=C1)C(Cl)=O

InChI

InChIKey=RCOVTJVRTZGSBP-UHFFFAOYSA-N
InChI=1S/C8H6Cl2O/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,5H2

HIDE SMILES / InChI

Approval Year

Name Type Language
4-(CHLOROMETHYL)BENZOYL CHLORIDE
Systematic Name English
NSC-508741
Code English
P-(CHLOROMETHYL)BENZOYL CHLORIDE
Systematic Name English
BENZOYL CHLORIDE, 4-(CHLOROMETHYL)-
Systematic Name English
.ALPHA.-CHLORO-P-TOLUOYL CHLORIDE
Systematic Name English
Code System Code Type Description
FDA UNII
944K6CA5WU
Created by admin on Sat Dec 16 12:30:26 GMT 2023 , Edited by admin on Sat Dec 16 12:30:26 GMT 2023
PRIMARY
CAS
876-08-4
Created by admin on Sat Dec 16 12:30:26 GMT 2023 , Edited by admin on Sat Dec 16 12:30:26 GMT 2023
PRIMARY
ECHA (EC/EINECS)
212-881-0
Created by admin on Sat Dec 16 12:30:26 GMT 2023 , Edited by admin on Sat Dec 16 12:30:26 GMT 2023
PRIMARY
NSC
508741
Created by admin on Sat Dec 16 12:30:26 GMT 2023 , Edited by admin on Sat Dec 16 12:30:26 GMT 2023
PRIMARY
PUBCHEM
70136
Created by admin on Sat Dec 16 12:30:26 GMT 2023 , Edited by admin on Sat Dec 16 12:30:26 GMT 2023
PRIMARY
EPA CompTox
DTXSID20236501
Created by admin on Sat Dec 16 12:30:26 GMT 2023 , Edited by admin on Sat Dec 16 12:30:26 GMT 2023
PRIMARY