Chem
J-GLOBAL ID：200907040991848616   Nikkaji number：J279.586H

3,5-Dimethylphenyl isocyanate

3,5-ジメチルフェニルイソシアナート
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C9H9NO
Molecular formula furigana： C9-H9-N-O
Molecular weight： 147.177
InChI： InChI=1S/C9H9NO/c1-7-3-8(2)5-9(4-7)10-6-11/h3-5H,1-2H3
InChI key： DZSGDHNHQAJZCO-UHFFFAOYSA-N
SMILES： Cc1cc(C)cc(c1)N=C=O
Systematic name  (4)：
  • 3,5-ジメチルフェニルイソシアナート
  • 1-イソシアナト-3,5-ジメチルベンゼン
  • (3,5-ジメチルフェニル)イソシアナート
  • 1-isocyanato-3,5-dimethylbenzene
Other name (4)：
  • 1-Isocyanato-3,5-dimethylbenzene
  • (3,5-Dimethylphenyl) isocyanate
  • イソシアン酸=3,5-キシリル
  • 3,5-Dimethylphenyl isocyanate
CAS registry number： 54132-75-1
Regulation number (2)：
  • EINECS2589870
  • 4-(9)-289
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