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

Details

Stereochemistry ACHIRAL
Molecular Formula C7H6ClNO2
Molecular Weight 171.581
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of O-NITROBENZYL CHLORIDE

SMILES

[O-][N+](=O)C1=CC=CC=C1CCl

InChI

InChIKey=BXCBUWKTXLWPSB-UHFFFAOYSA-N
InChI=1S/C7H6ClNO2/c8-5-6-3-1-2-4-7(6)9(10)11/h1-4H,5H2

HIDE SMILES / InChI

Molecular Formula C7H6ClNO2
Molecular Weight 171.581
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 19:18:09 GMT 2025
Edited
by admin
on Mon Mar 31 19:18:09 GMT 2025
Record UNII
HB8U484NPM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
O-NITROBENZYL CHLORIDE
Common Name English
NSC-66500
Preferred Name English
BENZENE, 1-(CHLOROMETHYL)-2-NITRO-
Systematic Name English
.ALPHA.-CHLORO-O-NITROTOLUENE
Common Name English
NITROBENZYL CHLORIDE, O-
Common Name English
2-NITROBENZYL CHLORIDE
Systematic Name English
TOLUENE, .ALPHA.-CHLORO-O-NITRO-
Systematic Name English
1-(CHLOROMETHYL)-2-NITROBENZENE
Systematic Name English
Code System Code Type Description
PUBCHEM
11921
Created by admin on Mon Mar 31 19:18:09 GMT 2025 , Edited by admin on Mon Mar 31 19:18:09 GMT 2025
PRIMARY
EPA CompTox
DTXSID9025744
Created by admin on Mon Mar 31 19:18:09 GMT 2025 , Edited by admin on Mon Mar 31 19:18:09 GMT 2025
PRIMARY
FDA UNII
HB8U484NPM
Created by admin on Mon Mar 31 19:18:09 GMT 2025 , Edited by admin on Mon Mar 31 19:18:09 GMT 2025
PRIMARY
NSC
66500
Created by admin on Mon Mar 31 19:18:09 GMT 2025 , Edited by admin on Mon Mar 31 19:18:09 GMT 2025
PRIMARY
CAS
612-23-7
Created by admin on Mon Mar 31 19:18:09 GMT 2025 , Edited by admin on Mon Mar 31 19:18:09 GMT 2025
PRIMARY
ECHA (EC/EINECS)
210-300-5
Created by admin on Mon Mar 31 19:18:09 GMT 2025 , Edited by admin on Mon Mar 31 19:18:09 GMT 2025
PRIMARY