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(1-Isothiocyanatoethyl)-Benzene
[CAS# 4478-92-6]

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Identification
Name (1-Isothiocyanatoethyl)-Benzene
Synonyms Dl-Alpha-Methylbenzyl Isothiocyanate; L-Alpha-Methylbenzyl Isothiocyanate; 1-Phenylethyl Isothiocyanate
Molecular Structure CAS#: 4478-92-6, (1-Isothiocyanatoethyl)-Benzene
Molecular Formula C9H9NS
Molecular Weight 163.24
CAS Registry Number 4478-92-6
SMILES S=C=NC(C1=CC=CC=C1)C
InChI 1S/C9H9NS/c1-8(10-7-11)9-5-3-2-4-6-9/h2-6,8H,1H3
InChIKey QQCJPTVZIZVKEZ-UHFFFAOYSA-N
Properties
Density 1.0±0.1g/cm3 (Cal.)
1.06 (Expl.)
Boiling point 132-133°C (Expl.)
246.4±9.0°C at 760 mmHg (Cal.)
Flash point 103°C (Expl.)
102.3±26.5°C (Cal.)
Refractive index 1.581 (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
WARNING: Irritates skin and eyes, harmful if swallowed
SDS Available
Market Analysis Reports
List of Reports Available for (1-Isothiocyanatoethyl)-Benzene
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