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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 Tue Apr 01 17:48:33 GMT 2025
Edited
by admin
on Tue Apr 01 17:48:33 GMT 2025
Record UNII
RW47ZKR2X7
Record Status Validated (UNII)
Record Version
  • Download
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