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4-Methylbenzyl Isothiocyanate
[CAS# 3694-46-0]

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Identification
Name 4-Methylbenzyl Isothiocyanate
Synonyms 1-(Isothiocyanatomethyl)-4-Methyl-Benzene; 4-12-00-02578 (Beilstein Handbook Reference); Benzene, 1-(Isothiocyanatomethyl)-4-Methyl-
Molecular Structure CAS#: 3694-46-0, 4-Methylbenzyl Isothiocyanate
Molecular Formula C9H9NS
Molecular Weight 163.24
CAS Registry Number 3694-46-0
SMILES S=C=NCC1=CC=C(C=C1)C
InChI 1S/C9H9NS/c1-8-2-4-9(5-3-8)6-10-7-11/h2-5H,6H2,1H3
InChIKey OAXIUBJXQISJEV-UHFFFAOYSA-N
Properties
Density 1.08 (Expl.)
1.0±0.1g/cm3 (Cal.)
Boiling point 263.5±9.0°C at 760 mmHg (Cal.)
97°C (Expl.)
Flash point 114.2±26.5°C (Cal.)
Refractive index 1.589 (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
HARMFUL / IRRITANT
SDS Available
Market Analysis Reports
List of Reports Available for 4-Methylbenzyl Isothiocyanate
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