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2-Isothiocyanato-Benzoic Acid Methyl Ester
[CAS# 16024-82-1]

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Identification
Classification Chemical reagent >> Organic reagent >> Thiocyanate / isothiocyanate
Name 2-Isothiocyanato-Benzoic Acid Methyl Ester
Synonyms 2-Isothiocyanatobenzoic Acid Methyl Ester; Sbb010050
Molecular Structure CAS#: 16024-82-1, 2-Isothiocyanato-Benzoic Acid Methyl Ester
Molecular Formula C9H7NO2S
Molecular Weight 193.22
CAS Registry Number 16024-82-1
EINECS 240-164-2
SMILES S=C=NC1=CC=CC=C1C(OC)=O
InChI 1S/C9H7NO2S/c1-12-9(11)7-4-2-3-5-8(7)10-6-13/h2-5H,1H3
InChIKey UNXVHBOJSCWVCD-UHFFFAOYSA-N
Properties
Desity 1.2±0.1g/cm3 (Cal.)
1.24 (Expl.)
Boiling point 320.3±25.0°C at 760 mmHg (Cal.)
149-150°C (Expl.)
Flash point 147.5±23.2°C (Cal.)
Refractive index 1.634 (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 UN2923
Safety Description DANGER: CORROSIVE, POISON, burns skin and eyes
DANGER: POISON, causes cyanosis; skin, eye, lung irritation
Market Analysis Reports
List of Reports Available for 2-Isothiocyanato-Benzoic Acid Methyl Ester
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