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3-Methylbenzyl Isothiocyanate
[CAS# 28115-86-8]

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Identification
Name 3-Methylbenzyl Isothiocyanate
Synonyms Isothiocyanato-(3-Methylphenyl)Methanone; Zinc02528092
Molecular Structure CAS#: 28115-86-8, 3-Methylbenzyl Isothiocyanate
Molecular Formula C9H7NOS
Molecular Weight 177.22
CAS Registry Number 28115-86-8
SMILES N(C(=O)C1=CC(=CC=C1)C)=C=S
InChI 1S/C9H7NOS/c1-7-3-2-4-8(5-7)9(11)10-6-12/h2-5H,1H3
InChIKey DXKOLJYVHYILGA-UHFFFAOYSA-N
Properties
Density 1.117g/cm3 (Cal.)
Boiling point 285.73°C at 760 mmHg (Cal.)
316.6783°C (Expl.)
Flash point 126.605°C (Cal.)
Safety Data
SDS Available
Market Analysis Reports
List of Reports Available for 3-Methylbenzyl Isothiocyanate
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