Chem
J-GLOBAL ID:200907056781709986   Nikkaji number:J53.651B

Isophorone diisocyanate

イソホロンジイソシアナート
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: C12H18N2O2
Molecular formula furigana: C12-H18-N2-O2
Molecular weight: 222.288
InChI: InChI=1S/C12H18N2O2/c1-11(2)4-10(14-9-16)5-12(3,6-11)7-13-8-15/h10H,4-7H2,1-3H3
InChI key: NIMLQBUJDJZYEJ-UHFFFAOYSA-N
SMILES: CC1(C)CC(CC(C)(CN=C=O)C1)N=C=O
Systematic name  (21):
  • [3-(イソシアナトメチル)-3,5,5-トリメチルシクロヘキシル]イソシアナート
  • 3,5,5-トリメチル-3-(イソシアナトメチル)シクロヘキシルイソシアナート
  • 3-(イソシアナトメチル)-3,5,5-トリメチルシクロヘキシルイソシアナート
  • 5-イソシアナト-1-イソシアナトメチル-1,3,3-トリメチルシクロヘキサン
  • [3-[(イソシアナト)メチル]-3,5,5-トリメチルシクロヘキサン-1-イル]イソシアナート
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Other name (21):
  • イソホロンジイソシアナート
  • IPDI
  • Isophorone diisocyanate
  • 3-Isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanate
  • 5-Isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane
Show all
CAS registry number: 4098-71-9
Regulation number (4):
  • NQ9370000
  • (3)-2492
  • EINECS2238616
  • TSCA(4098-71-9)
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