CAS 54589-54-7: Benzoic acid, 3-(chloromethyl)-, ethyl ester

Description: Benzoic acid, 3-(chloromethyl)-, ethyl ester, with the CAS number 54589-54-7, is an organic compound characterized by its ester functional group and a chloromethyl substituent on the benzene ring. 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 chloromethyl group can impart reactivity, making it a potential intermediate in organic synthesis, particularly in the formation of more complex molecules. Benzoic acid derivatives, including this compound, are often studied for their antimicrobial properties and applications in pharmaceuticals, agrochemicals, and as flavoring agents. Safety data indicates that, like many chlorinated compounds, it should be handled with care due to potential toxicity and environmental concerns. Proper storage and handling protocols are essential to mitigate risks associated with exposure.

Formula: C₁₀H₁₁ClO₂

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

InChI key: InChIKey=ZJNVMXXFCNKXLT-UHFFFAOYSA-N

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

Synonyms:

• 3-(Chloromethyl)benzoic acid ethyl ester
• Benzoic acid, 3-(chloromethyl)-, ethyl ester
• Ethyl 3-(Chloromethyl)benzoate
• Ethyl m-(chloromethyl)benzoate
• Ethyl 3-chloromethylbenzoate

Ethyl 3-(Chloromethyl)benzoate

CAS: 54589-54-7

• Formula: C₁₀H₁₁ClO₂
• Purity: >96.0%(GC)
• Color and Shape: Colorless to Almost colorless clear liquid
• Molecular weight: 198.65

Benzoic acid, 3-(chloromethyl)-, ethyl ester

CAS: 54589-54-7

• Formula: C₁₀H₁₁ClO₂
• Purity: 98%
• Color and Shape: Liquid
• Molecular weight: 198.6461

Ethyl 3-(chloromethyl)benzoate

CAS: 54589-54-7

• Formula: C₁₀H₁₁ClO₂
• Purity: 98% by nmr (Typical Value in Batch COA)
• Color and Shape: colourless liquid
• Molecular weight: 198.65g/mol

Ethyl 3-(chloromethyl)benzoate

CAS: 54589-54-7

• Purity: 95.0%
• Color and Shape: Liquid
• Molecular weight: 198.64999389648438

Ethyl 3-chloromethylbenzoate

CAS: 54589-54-7

Ethyl 3-chloromethylbenzoate is an ester prodrug of acyclovir that is hydrolyzed to the active form …

• Purity: Min. 95%