Methyl 2-isocyanatobenzoate structure

Methyl 2-isocyanatobenzoate

methyl 2-isocyanatobenzoate

Also Known As: Methyl 2-isocyanatobenzoate|2-Carbomethoxyphenyl isocyanate|2-(Methoxycarbonyl)Phenyl Isocyanate|2-(Methoxycarbonyl)phenylisocyanate|ACMC-1BQMD|2-Methoxycarbonylphenyl isocyanate|Benzoic acid, 2-isocyanato-, methyl ester|2-carbomethoxyphenylisocyanate|methyl 2 isocyanatobenzoate|methyl-2-isocyanatobenzoate|Methyl 2-isocyanatobenzoate #|2-methoxycarbonylphenylisocyanate|2-methoxycarbonyl phenylisocyanate|2-methoxycarbonylphenyl-isocyanate|2-isocyanatobenzoic acid methyl ester|Methyl 2-isocyanatobenzoate, 97%|5998AD|Benzoic acid,2-isocyanato-, methyl ester|Y-9034|22210-EP2284157A1|22210-EP2314593A1

CAS: 1793-07-3
Molecular Formula C9H7NO3
Molecular Weight 177.04259 g/mol
LogP 2.6
Topological Polar Surface Area 55.7 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 4
Rotatable Bonds 3
Exact Mass 177.04259
Monoisotopic Mass 177.04259
Heavy Atoms 13
Complexity 233.0

Chemical Identifiers

CAS Number 1793-07-3
SMILES COC(=O)C1=CC=CC=C1N=C=O
InChIKey ATFKBWNEVZUSKC-UHFFFAOYSA-N

Patent-Derived Application Labels

Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.

Agrochemicals (21 patents) Analytical Reagents (12 patents) Biotechnology (4 patents) Catalysts (1 patents) Dyes & Pigments (2 patents) Heterocyclic Building Blocks (324 patents) Organic Building Blocks (39 patents) Organometallic Reagents (1 patents) Peptides & Amino Acids (17 patents) Pharmaceutical Intermediates (193 patents) Polymer Intermediates (5 patents)

Product Overview

Methyl 2-isocyanatobenzoate (CAS 1793-07-3), with molecular formula C9H7NO3 and molecular weight 177.04259 g/mol. IUPAC: methyl 2-isocyanatobenzoate.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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