Chem
J-GLOBAL ID：200907070267364476
Nikkaji number：J36.974H
Butyl isocyanate
ブチルイソシアナート
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
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
Molecular formula： C5H9NO
Molecular formula furigana： C5-H9-N-O
Molecular weight： 99.133
InChI：
InChI=1S/C5H9NO/c1-2-3-4-6-5-7/h2-4H2,1H3
InChI key：
HNHVTXYLRVGMHD-UHFFFAOYSA-N
SMILES：
CCCCN=C=O
Systematic name (3)：
- ブチルイソシアナート
- 1-イソシアナトブタン
- 1-isocyanatobutane
- BIC
- Isocyanic acid butyl ester
- イソシアン酸ブチルエステル
- Butyl isocyanate
- イソシアン酸ブチル
Regulation number (5)：
- UN-2485
- NQ8250000
- (2)-1690
- EINECS2038628
- TSCA(111-36-4)
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