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3-Methoxycarbonylphenyl Isothiocyanate
[CAS# 3125-66-4]

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Identification
Name 3-Methoxycarbonylphenyl Isothiocyanate
Synonyms 3-Isothiocyanatobenzoic Acid Methyl Ester; Zinc02168491; 3-Methoxycarbonylphenyl Isothiocyanate
Molecular Structure CAS#: 3125-66-4, 3-Methoxycarbonylphenyl Isothiocyanate
Molecular Formula C9H7NO2S
Molecular Weight 193.22
CAS Registry Number 3125-66-4
SMILES S=C=NC1=CC(=CC=C1)C(=O)OC
InChI 1S/C9H7NO2S/c1-12-9(11)7-3-2-4-8(5-7)10-6-13/h2-5H,1H3
InChIKey NQXFZEJJHPUMMF-UHFFFAOYSA-N
Properties
Density 1.23 (Expl.)
1.2±0.1g/cm3 (Cal.)
Boiling point 105-106°C (Expl.)
323.2±25.0°C at 760 mmHg (Cal.)
Flash point 149.2±23.2°C (Cal.)
Refractive index 1.624 (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
DANGER: CORROSIVE, POISON, burns skin and eyes
SDS Available
Market Analysis Reports
List of Reports Available for 3-Methoxycarbonylphenyl Isothiocyanate
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