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3-Nitrophenyl Isocyanate
[CAS# 3320-87-4]

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Identification
Classification Chemical reagent >> Organic reagent >> Cyanate ester / isocyanate
Name 3-Nitrophenyl Isocyanate
Synonyms 1-Isocyanato-3-Nitro-Benzene; Ai3-28251
Molecular Structure CAS#: 3320-87-4, 3-Nitrophenyl Isocyanate
Molecular Formula C7H4N2O3
Molecular Weight 164.12
CAS Registry Number 3320-87-4
EINECS 222-025-8
SMILES O=C=NC1=CC=CC(=C1)[N+](=O)[O-]
InChI 1S/C7H4N2O3/c10-5-8-6-2-1-3-7(4-6)9(11)12/h1-4H
InChIKey GFFGYTMCNVMFAJ-UHFFFAOYSA-N
Properties
Density 1.3±0.1g/cm3 (Cal.)
Melting point 51-53°C (Expl.)
Boiling point 261.1±23.0°C at 760 mmHg (Cal.)
130-131°C (Expl.)
Flash point 111.7±22.6°C (Cal.)
110°C (Expl.)
Safety Data
Safety Code S22;S26;S36/37;S45  Details
Risk Code R20/22;R36/37/38;R42  Details
Hazard Symbol symbol  X  Details
Transport Information UN2811
Safety Description DANGER: POISON, irritates skin, eyes, lungs
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