2,5-Dimethylphenyl isocyanate

CAS Registry Number®

40397-98-6

CAS Name

2,5-Dimethylphenyl isocyanate

Molecular Formula

C9H9NO

Molecular Mass

147.17

Cite this Page

2,5-Dimethylphenyl isocyanate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=40397-98-6 (retrieved 2025-03-31) (CAS RN: 40397-98-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=SOXVXJQIQVOCAY-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C=NC1=CC(=CC=C1C)C

Other Names for this Substance

  • Benzene, 2-isocyanato-1,4-dimethyl-
  • 2-Isocyanato-1,4-dimethylbenzene
  • 2,5-Dimethylphenyl isocyanate
  • NSC 152098
  • 1-Isocyanato-2,5-dimethylbenzene

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