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1-Butyl-4-Isothiocyanato-Benzene
[CAS# 23165-44-8]

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Identification
Name 1-Butyl-4-Isothiocyanato-Benzene
Synonyms 1-Butyl-4-Isothiocyanato-Benzene; Zinc02168496; 4-Butylphenyl Isothiocyanate
Molecular Structure CAS#: 23165-44-8, 1-Butyl-4-Isothiocyanato-Benzene
Molecular Formula C11H13NS
Molecular Weight 191.29
CAS Registry Number 23165-44-8
SMILES S=C=NC1=CC=C(C=C1)CCCC
InChI 1S/C11H13NS/c1-2-3-4-10-5-7-11(8-6-10)12-9-13/h5-8H,2-4H2,1H3
InChIKey PXVPXJHMTUKENZ-UHFFFAOYSA-N
Properties
Density 1.0±0.1g/cm3 (Cal.)
1.04 (Expl.)
Boiling point 291.1±19.0°C at 760 mmHg (Cal.)
150-154°C (Expl.)
Flash point 133.5±29.3°C (Cal.)
Refractive index 1.595 (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, burns skin and eyes
DANGER: POISON, irritates skin, eyes, lungs
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