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3-Isocyanatobenzoyl Chloride
[CAS# 5180-79-0]

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Identification
Name 3-Isocyanatobenzoyl Chloride
Synonyms Zinc02560439; 478504_Aldrich
Molecular Structure CAS#: 5180-79-0, 3-Isocyanatobenzoyl Chloride
Molecular Formula C8H4ClNO2
Molecular Weight 181.58
CAS Registry Number 5180-79-0
SMILES O=C=NC1=CC(=CC=C1)C(=O)Cl
InChI 1S/C8H4ClNO2/c9-8(12)6-2-1-3-7(4-6)10-5-11/h1-4H
InChIKey WBLVOWAHPPPNLF-UHFFFAOYSA-N
Properties
Density 1.333 (Expl.)
1.3±0.1g/cm3 (Cal.)
Boiling point 91°C (Expl.)
267.5±23.0°C at 760 mmHg (Cal.)
Flash point 110°C (Expl.)
107.1±11.8°C (Cal.)
Safety Data
Safety Code S23;S26;S36/37/39;S45  Details
Risk Code R20/22;R34;R42  Details
Hazard Symbol symbol  symbol  X;C  Details
Transport Information UN2922
Safety Description DANGER: CORROSIVE, POISON, irritates skin and eyes
SDS Available
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