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Methyl 3-Isocyanatobenzoate
[CAS# 41221-47-0]

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Identification
Classification Chemical reagent >> Organic reagent >> Cyanate ester / isocyanate
Name Methyl 3-Isocyanatobenzoate
Synonyms 3-Isocyanatobenzoic Acid Methyl Ester; 478997_Aldrich; Zinc00152308
Molecular Structure CAS#: 41221-47-0, Methyl 3-Isocyanatobenzoate
Molecular Formula C9H7NO3
Molecular Weight 177.16
CAS Registry Number 41221-47-0
SMILES O=C=NC1=CC(=CC=C1)C(OC)=O
InChI 1S/C9H7NO3/c1-13-9(12)7-3-2-4-8(5-7)10-6-11/h2-5H,1H3
InChIKey WBGWGERFPSYHDT-UHFFFAOYSA-N
Properties
Density 1.2±0.1g/cm3 (Cal.)
Melting point 35-38°C (Expl.)
Boiling point 271.4±23.0°C at 760 mmHg (Cal.)
Flash point 110°C (Expl.)
128.1±17.1°C (Cal.)
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 HARMFUL / IRRITANT
SDS Available
Market Analysis Reports
List of Reports Available for Methyl 3-Isocyanatobenzoate
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