CAS 4397-55-1

Benzoic acid, 2-(chlorocarbonyl)-, methyl ester

Description:

Benzoic acid, 2-(chlorocarbonyl)-, methyl ester, also known by its CAS number 4397-55-1, is an organic compound characterized by its ester functional group and the presence of a chlorocarbonyl substituent. This compound typically appears as a colorless to pale yellow liquid or solid, depending on its purity and temperature. It is soluble in organic solvents such as ethanol and ether but has limited solubility in water due to its hydrophobic aromatic structure. The presence of the chlorocarbonyl group makes it reactive, particularly in nucleophilic substitution reactions, which can lead to the formation of various derivatives. Benzoic acid derivatives are often utilized in the synthesis of pharmaceuticals, agrochemicals, and other organic compounds. Safety considerations include handling it with care, as it may be harmful if inhaled or ingested, and it can cause skin and eye irritation. Proper storage in a cool, dry place away from incompatible substances is essential to maintain its stability and integrity.

Formula: C₉H₇ClO₃

InChI: InChI=1S/C9H7ClO3/c1-13-9(12)7-5-3-2-4-6(7)8(10)11/h2-5H,1H3

InChI key: InChIKey=GNBWUEAMCSHHMO-UHFFFAOYSA-N

SMILES: C(OC)(=O)C1=C(C(Cl)=O)C=CC=C1

Synonyms:

• Methyl phthaloyl chloride
• Benzoic acid, 2-(chlorocarbonyl)-, methyl ester
• o-Methoxycarbonylbenzoyl chloride
• Phthalic acid monochloride monomethyl ester
• Benzoic acid, o-(chloroformyl)-, methyl ester

Methyl 2-(chlorocarbonyl)benzoate

CAS: 4397-55-1

Methyl 2-(chlorocarbonyl)benzoate

Formula: C₉H₇ClO₃

Purity: 95%

Color and Shape: yellow oil

Molecular weight: 198.60g/mol

Ref: 54-OR200131

Methyl phthaloyl chloride

CAS: 4397-55-1

Ref: 7W-GW8412

Methyl phthaloyl chloride

CAS: 4397-55-1

Methyl phthaloyl chloride is a phenoxy compound that has been used as an inhibitor in the preparation of cyclic peptides. This compound has been shown to have anticancer and antiviral properties, and it also inhibits the growth of cancer cells by inhibiting cell-cycle progression. Methyl phthaloyl chloride is a nitro compound that can undergo nucleophilic attack by water molecules to produce an amide. The structural formula of this compound is shown below.

Formula: C₉H₇ClO₃

Purity: Min. 95%

Molecular weight: 198.6 g/mol

Ref: 3D-EAA39755