Chem
J-GLOBAL ID：200907038524518110   Nikkaji number：J62.495K

Hexyl isocyanate

ヘキシルイソシアナート
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： C7H13NO
Molecular formula furigana： C7-H13-N-O
Molecular weight： 127.187
InChI： InChI=1S/C7H13NO/c1-2-3-4-5-6-8-7-9/h2-6H2,1H3
InChI key： ANJPRQPHZGHVQB-UHFFFAOYSA-N
SMILES： CCCCCCN=C=O
Systematic name  (3)：
  • 1-イソシアナトヘキサン
  • ヘキシルイソシアナート
  • 1-isocyanatohexane
Other name (2)：
  • 1-Isocyanatohexane
  • Hexyl isocyanate
CAS registry number： 2525-62-4
Regulation number (3)：
  • 2-(7)-265
  • EINECS2197638
  • TSCA(2525-62-4)
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