CAS 1531-78-8

Benzoic acid, 2-(chloromethyl)-, ethyl ester

Description:

Benzoic acid, 2-(chloromethyl)-, ethyl ester, also known by its CAS number 1531-78-8, is an organic compound characterized by its ester functional group derived from benzoic acid and ethyl alcohol. This compound features a chloromethyl group, which introduces a chlorine atom attached to a methylene (-CH2-) group adjacent to the ester functionality. It typically appears as a colorless to pale yellow liquid with a distinctive aromatic odor. The presence of the chlorine atom can impart unique reactivity, making it useful in various chemical syntheses, particularly in the production of pharmaceuticals and agrochemicals. The compound is moderately soluble in organic solvents and exhibits low solubility in water. Its chemical properties include potential reactivity in nucleophilic substitution reactions due to the electrophilic nature of the chloromethyl group. Safety considerations should be taken into account, as it may pose health risks upon exposure, necessitating appropriate handling and storage measures. Overall, this compound serves as an important intermediate in organic synthesis.

Formula: C₁₀H₁₁ClO₂

InChI: InChI=1S/C10H11ClO2/c1-2-13-10(12)9-6-4-3-5-8(9)7-11/h3-6H,2,7H2,1H3

InChI key: InChIKey=QQOVRPBUAUNBAV-UHFFFAOYSA-N

SMILES: C(OCC)(=O)C1=C(CCl)C=CC=C1

Synonyms:

• 2-(Chloromethyl)Benzoic Acid Ethyl Ester
• 2-Carbethoxybenzyl Chloride
• Benzoic acid, 2-(chloromethyl)-, ethyl ester
• Ethyl O-(Chloromethyl)Benzoate
• Ethyl o-chloromethylbenzoate
• o-Toluic acid, α-chloro-, ethyl ester
• Ethyl 2-chloromethylbenzoate

Ethyl 2-chloromethylbenzoate

CAS: 1531-78-8

Ethyl 2-chloromethylbenzoate

Purity: 95%

Molecular weight: 198.65g/mol

Ref: 54-OR911795