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

Details

Stereochemistry ACHIRAL
Molecular Formula C7H4ClNO
Molecular Weight 153.566
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of BENZENE, 1-CHLORO-3-ISOCYANATO-

SMILES

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

InChI

InChIKey=HHIRBXHEYVDUAM-UHFFFAOYSA-N
InChI=1S/C7H4ClNO/c8-6-2-1-3-7(4-6)9-5-10/h1-4H

HIDE SMILES / InChI

Molecular Formula C7H4ClNO
Molecular Weight 153.566
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
1-(3-Chloro-phen-yl)-3-(4-nitro-phen-yl)urea.
2010-10-13
Patents
Substance Class Chemical
Created
by admin
on Tue Apr 01 16:24:21 GMT 2025
Edited
by admin
on Tue Apr 01 16:24:21 GMT 2025
Record UNII
Y54698FM83
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENZENE, 1-CHLORO-3-ISOCYANATO-
Systematic Name English
NSC-76588
Preferred Name English
M-CHLOROPHENYL ISOCYANATE
Systematic Name English
1-CHLORO-3-ISOCYANATOBENZENE
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
220-822-5
Created by admin on Tue Apr 01 16:24:21 GMT 2025 , Edited by admin on Tue Apr 01 16:24:21 GMT 2025
PRIMARY
PUBCHEM
17968
Created by admin on Tue Apr 01 16:24:21 GMT 2025 , Edited by admin on Tue Apr 01 16:24:21 GMT 2025
PRIMARY
EPA CompTox
DTXSID1062702
Created by admin on Tue Apr 01 16:24:21 GMT 2025 , Edited by admin on Tue Apr 01 16:24:21 GMT 2025
PRIMARY
NSC
76588
Created by admin on Tue Apr 01 16:24:21 GMT 2025 , Edited by admin on Tue Apr 01 16:24:21 GMT 2025
PRIMARY
CAS
2909-38-8
Created by admin on Tue Apr 01 16:24:21 GMT 2025 , Edited by admin on Tue Apr 01 16:24:21 GMT 2025
PRIMARY
FDA UNII
Y54698FM83
Created by admin on Tue Apr 01 16:24:21 GMT 2025 , Edited by admin on Tue Apr 01 16:24:21 GMT 2025
PRIMARY