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3-Isothiocyanato-Benzoic Acid
[CAS# 2131-63-7]

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Identification
Name 3-Isothiocyanato-Benzoic Acid
Synonyms Nsc53162; Benzoic Acid, 3-Isothiocyanato-
Molecular Structure CAS#: 2131-63-7, 3-Isothiocyanato-Benzoic Acid
Molecular Formula C8H5NO2S
Molecular Weight 179.19
CAS Registry Number 2131-63-7
SMILES S=C=NC1=CC(=CC=C1)C(O)=O
InChI 1S/C8H5NO2S/c10-8(11)6-2-1-3-7(4-6)9-5-12/h1-4H,(H,10,11)
InChIKey PJRBPKOOGLKPFB-UHFFFAOYSA-N
Properties
Density 1.3±0.1g/cm3 (Cal.)
Melting point 165°C (Expl.)
Boiling point 381.2±25.0°C at 760 mmHg (Cal.)
Flash point 184.4±23.2°C (Cal.)
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 HARMFUL / IRRITANT
DANGER: CORROSIVE, POISON, burns skin and eyes
SDS Available
Market Analysis Reports
List of Reports Available for 3-Isothiocyanato-Benzoic Acid
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