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

Molecular Formula C8H5NO2
Molecular Weight 147.1308
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:01:55 GMT 2023
Edited
by admin
on Sat Dec 16 12:01:55 GMT 2023
Record UNII
RW47ZKR2X7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENZOYL ISOCYANATE
Systematic Name English
NSC-246191
Code English
BENZOIC ACID, ANHYDRIDE WITH ISOCYANIC ACID
Systematic Name English
Code System Code Type Description
FDA UNII
RW47ZKR2X7
Created by admin on Sat Dec 16 12:01:55 GMT 2023 , Edited by admin on Sat Dec 16 12:01:55 GMT 2023
PRIMARY
CAS
4461-33-0
Created by admin on Sat Dec 16 12:01:55 GMT 2023 , Edited by admin on Sat Dec 16 12:01:55 GMT 2023
PRIMARY
NSC
246191
Created by admin on Sat Dec 16 12:01:55 GMT 2023 , Edited by admin on Sat Dec 16 12:01:55 GMT 2023
PRIMARY
PUBCHEM
78210
Created by admin on Sat Dec 16 12:01:55 GMT 2023 , Edited by admin on Sat Dec 16 12:01:55 GMT 2023
PRIMARY
ECHA (EC/EINECS)
224-717-5
Created by admin on Sat Dec 16 12:01:55 GMT 2023 , Edited by admin on Sat Dec 16 12:01:55 GMT 2023
PRIMARY
EPA CompTox
DTXSID90196249
Created by admin on Sat Dec 16 12:01:55 GMT 2023 , Edited by admin on Sat Dec 16 12:01:55 GMT 2023
PRIMARY