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

Details

Stereochemistry ACHIRAL
Molecular Formula C8H7NO
Molecular Weight 133.1473
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of M-TOLYL ISOCYANATE

SMILES

CC1=CC=CC(=C1)N=C=O

InChI

InChIKey=CPPGZWWUPFWALU-UHFFFAOYSA-N
InChI=1S/C8H7NO/c1-7-3-2-4-8(5-7)9-6-10/h2-5H,1H3

HIDE SMILES / InChI

Approval Year

Name Type Language
M-TOLYL ISOCYANATE
Systematic Name English
1-ISOCYANATO-3-METHYLBENZENE
Systematic Name English
3-METHYLPHENYL ISOCYANATE
Systematic Name English
M-ISOCYANATOTOLUENE
Systematic Name English
M-METHYLPHENYL ISOCYANATE
Systematic Name English
3-TOLYL ISOCYANATE
Systematic Name English
BENZENE, 1-ISOCYANATO-3-METHYL-
Systematic Name English
Code System Code Type Description
FDA UNII
QR6QV3EC23
Created by admin on Sat Dec 16 10:14:23 GMT 2023 , Edited by admin on Sat Dec 16 10:14:23 GMT 2023
PRIMARY
PUBCHEM
69303
Created by admin on Sat Dec 16 10:14:23 GMT 2023 , Edited by admin on Sat Dec 16 10:14:23 GMT 2023
PRIMARY
CAS
621-29-4
Created by admin on Sat Dec 16 10:14:23 GMT 2023 , Edited by admin on Sat Dec 16 10:14:23 GMT 2023
PRIMARY
EPA CompTox
DTXSID9060732
Created by admin on Sat Dec 16 10:14:23 GMT 2023 , Edited by admin on Sat Dec 16 10:14:23 GMT 2023
PRIMARY
ECHA (EC/EINECS)
210-676-0
Created by admin on Sat Dec 16 10:14:23 GMT 2023 , Edited by admin on Sat Dec 16 10:14:23 GMT 2023
PRIMARY