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

Details

Stereochemistry ACHIRAL
Molecular Formula C8H5NO2
Molecular Weight 147.1308
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of BENZOYL ISOCYANATE

SMILES

O=C=NC(=O)C1=CC=CC=C1

InChI

InChIKey=LURYMYITPCOQAU-UHFFFAOYSA-N
InChI=1S/C8H5NO2/c10-6-9-8(11)7-4-2-1-3-5-7/h1-5H

HIDE SMILES / InChI

Approval Year

Name Type Language
NSC-246191
Preferred Name English
BENZOYL ISOCYANATE
Systematic Name English
BENZOIC ACID, ANHYDRIDE WITH ISOCYANIC ACID
Systematic Name English
Code System Code Type Description
FDA UNII
RW47ZKR2X7
Created by admin on Tue Apr 01 17:48:33 GMT 2025 , Edited by admin on Tue Apr 01 17:48:33 GMT 2025
PRIMARY
CAS
4461-33-0
Created by admin on Tue Apr 01 17:48:33 GMT 2025 , Edited by admin on Tue Apr 01 17:48:33 GMT 2025
PRIMARY
NSC
246191
Created by admin on Tue Apr 01 17:48:33 GMT 2025 , Edited by admin on Tue Apr 01 17:48:33 GMT 2025
PRIMARY
PUBCHEM
78210
Created by admin on Tue Apr 01 17:48:33 GMT 2025 , Edited by admin on Tue Apr 01 17:48:33 GMT 2025
PRIMARY
ECHA (EC/EINECS)
224-717-5
Created by admin on Tue Apr 01 17:48:33 GMT 2025 , Edited by admin on Tue Apr 01 17:48:33 GMT 2025
PRIMARY
EPA CompTox
DTXSID90196249
Created by admin on Tue Apr 01 17:48:33 GMT 2025 , Edited by admin on Tue Apr 01 17:48:33 GMT 2025
PRIMARY