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2-Isothiocyanatooctane
[CAS# 21663-52-5]

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Identification
Name 2-Isothiocyanatooctane
Synonyms 2-Isothiocyanatooctane #; 2-Octane isothiocyanate; 2-Octyl isothiocyanate
Molecular Structure CAS#: 21663-52-5, 2-Isothiocyanatooctane
Molecular Formula C9H17NS
Molecular Weight 171.30
CAS Registry Number 21663-52-5
SMILES S=C=N/C(CCCCCC)C
InChI 1S/C9H17NS/c1-3-4-5-6-7-9(2)10-8-11/h9H,3-7H2,1-2H3
InChIKey RXAAZXUXIQEORL-UHFFFAOYSA-N
Properties
Density 0.9 (Expl.)
0.907g/cm3 (Cal.)
Boiling point 234°C (Expl.)
245.292°C at 760 mmHg (Cal.)
Flash point 101.492°C (Cal.)
Refractive index 1.484 (Cal.)
Safety Data
Safety Description IRRITANT-HARMFUL
Market Analysis Reports
List of Reports Available for 2-Isothiocyanatooctane
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