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

Details

Stereochemistry ACHIRAL
Molecular Formula C7H4N2O3
Molecular Weight 164.1183
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 3-Nitrophenyl isocyanate

SMILES

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

InChI

InChIKey=GFFGYTMCNVMFAJ-UHFFFAOYSA-N
InChI=1S/C7H4N2O3/c10-5-8-6-2-1-3-7(4-6)9(11)12/h1-4H

HIDE SMILES / InChI

Approval Year

Name Type Language
3-Nitrophenyl isocyanate
Systematic Name English
NSC-5385
Preferred Name English
Benzene, 1-isocyanato-3-nitro-
Systematic Name English
1-Isocyanato-3-nitrobenzene
Systematic Name English
m-Nitrophenyl isocyanate
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
222-025-8
Created by admin on Tue Apr 01 17:45:34 GMT 2025 , Edited by admin on Tue Apr 01 17:45:34 GMT 2025
PRIMARY
EPA CompTox
DTXSID5062976
Created by admin on Tue Apr 01 17:45:34 GMT 2025 , Edited by admin on Tue Apr 01 17:45:34 GMT 2025
PRIMARY
NSC
5385
Created by admin on Tue Apr 01 17:45:34 GMT 2025 , Edited by admin on Tue Apr 01 17:45:34 GMT 2025
PRIMARY
CAS
3320-87-4
Created by admin on Tue Apr 01 17:45:34 GMT 2025 , Edited by admin on Tue Apr 01 17:45:34 GMT 2025
PRIMARY
FDA UNII
44E2KF3T6P
Created by admin on Tue Apr 01 17:45:34 GMT 2025 , Edited by admin on Tue Apr 01 17:45:34 GMT 2025
PRIMARY
PUBCHEM
76835
Created by admin on Tue Apr 01 17:45:34 GMT 2025 , Edited by admin on Tue Apr 01 17:45:34 GMT 2025
PRIMARY