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Details

Stereochemistry ACHIRAL
Molecular Formula C9H9NO
Molecular Weight 147.1739
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 2-ISOCYANATO-1,4-DIMETHYLBENZENE

SMILES

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

InChI

InChIKey=SOXVXJQIQVOCAY-UHFFFAOYSA-N
InChI=1S/C9H9NO/c1-7-3-4-8(2)9(5-7)10-6-11/h3-5H,1-2H3

HIDE SMILES / InChI

Molecular Formula C9H9NO
Molecular Weight 147.1739
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 19:39:07 GMT 2025
Edited
by admin
on Tue Apr 01 19:39:07 GMT 2025
Record UNII
4UPG772T8K
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-ISOCYANATO-1,4-DIMETHYLBENZENE
Systematic Name English
NSC-152098
Preferred Name English
BENZENE, 2-ISOCYANATO-1,4-DIMETHYL-
Systematic Name English
1-ISOCYANATO-2,5-DIMETHYLBENZENE
Systematic Name English
Code System Code Type Description
NSC
152098
Created by admin on Tue Apr 01 19:39:07 GMT 2025 , Edited by admin on Tue Apr 01 19:39:07 GMT 2025
PRIMARY
PUBCHEM
98605
Created by admin on Tue Apr 01 19:39:07 GMT 2025 , Edited by admin on Tue Apr 01 19:39:07 GMT 2025
PRIMARY
EPA CompTox
DTXSID1068227
Created by admin on Tue Apr 01 19:39:07 GMT 2025 , Edited by admin on Tue Apr 01 19:39:07 GMT 2025
PRIMARY
FDA UNII
4UPG772T8K
Created by admin on Tue Apr 01 19:39:07 GMT 2025 , Edited by admin on Tue Apr 01 19:39:07 GMT 2025
PRIMARY
CHEBI
60097
Created by admin on Tue Apr 01 19:39:07 GMT 2025 , Edited by admin on Tue Apr 01 19:39:07 GMT 2025
PRIMARY
CAS
40397-98-6
Created by admin on Tue Apr 01 19:39:07 GMT 2025 , Edited by admin on Tue Apr 01 19:39:07 GMT 2025
PRIMARY