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3-(Methylthio)Phenyl Isothiocyanate
[CAS# 51333-80-3]

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Identification
Classification Chemical reagent >> Organic reagent >> Thiocyanate / isothiocyanate
Name 3-(Methylthio)Phenyl Isothiocyanate
Synonyms 1-Isothiocyanato-3-Methylsulfanyl-Benzene; 1-Isothiocyanato-3-(Methylthio)Benzene; 1-Isothiocyanato-3-(Methylsulfanyl)Benzene
Molecular Structure CAS#: 51333-80-3, 3-(Methylthio)Phenyl Isothiocyanate
Molecular Formula C8H7NS2
Molecular Weight 181.27
CAS Registry Number 51333-80-3
SMILES S=C=NC1=CC(=CC=C1)SC
InChI 1S/C8H7NS2/c1-11-8-4-2-3-7(5-8)9-6-10/h2-5H,1H3
InChIKey IHKAGFVCXPFGRP-UHFFFAOYSA-N
Properties
Density 1.22 (Expl.)
1.1±0.1g/cm3 (Cal.)
Boiling point 305.8±25.0°C at 760 mmHg (Cal.)
144-145°C (Expl.)
Flash point 138.7±23.2°C (Cal.)
110°C (Expl.)
Refractive index 1.691 (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 HARMFUL / IRRITANT
SDS Available
Market Analysis Reports
List of Reports Available for 3-(Methylthio)Phenyl Isothiocyanate
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