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Isothiocyanato-Cyclohexane
[CAS# 1122-82-3]

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Identification
Classification Chemical reagent >> Organic reagent >> Thiocyanate / isothiocyanate
Name Isothiocyanato-Cyclohexane
Synonyms Cyclohexane, Isothiocyanato-; Cyclohexyl Isothiocyanate; Cyclohexyl Isothiocyanate, Isothiocyanato-
Molecular Structure CAS#: 1122-82-3, Isothiocyanato-Cyclohexane
Molecular Formula C7H11NS
Molecular Weight 141.23
CAS Registry Number 1122-82-3
EINECS 214-361-9
SMILES S=C=NC1CCCCC1
InChI 1S/C7H11NS/c9-6-8-7-4-2-1-3-5-7/h7H,1-5H2
InChIKey MZSJGCPBOVTKHR-UHFFFAOYSA-N
Properties
Desity 1.033 (Expl.)
1.1±0.1g/cm3 (Cal.)
Boiling point 218.999°C at 760 mmHg (Cal.)
219°C (Expl.)
Flash point 95°C (Expl.)
95.556°C (Cal.)
Refractive index 1.538 (Expl.)
Safety Data
Safety Code S26;S36/37/39;S45  Details
Risk Code R20/21/22;R34  Details
Hazard Symbol symbol  symbol  X;C  Details
Transport Information UN2922
Safety Description DANGER: CORROSIVE, POISON, irritates skin and eyes
DANGER: CORROSIVE, POISON, burns skin and eyes
References
(1) Jacek Gawronski, Marcin Kwit and Pawel Skowronek. Thiourea and isothiocyanate – two useful chromophores for stereochemical studies. A comparison of experiment and computation, Org. Biomol. Chem., 2009, 7, 1562.
Market Analysis Reports
List of Reports Available for Isothiocyanato-Cyclohexane
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