216089

Methyl 4-chlorobenzoate

99%

• Linear Formula: ClC₆H₄CO₂CH₃
• CAS Number: 1126-46-1
• Molecular Weight: 170.59
• EC Number: 214-420-9
• MDL number: MFCD00000621
• UNSPSC 코드: 12352100
• PubChem Substance ID: 24852938

속성

• 분석: 99%
• 양식: solid
• mp: 42-44 °C (lit.)
• 작용기: chloro; ester
• SMILES string: COC(=O)c1ccc(Cl)cc1
• InChI: 1S/C8H7ClO2/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,1H3
• InChI key: LXNFVVDCCWUUKC-UHFFFAOYSA-N

설명

일반 설명

Methyl 4-chlorobenzoate undergoes room temperature Pd-mediated hydrodehalogenation with KF and polymethylhydrosiloxane (PMHS) to yield methyl benzoate. It undergoes Suzuki-Miyaura coupling reaction with phenylboronic acid in the presence of bis-carbene palladium complex catalyst to yield methyl-(4-phenyl)-benzoate.

애플리케이션

Methyl 4-chlorobenzoate was used in quantitative determination of chlorophenoxyisobutyrate (CPIB) and salicylic acid, the metabolites of clofibrate and aspirin, by GC-MS method.

안전성 정보

• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point (°F): 224.6 °F - closed cup
• Flash Point (°C): 107.00 °C - closed cup
• 개인 보호 장비: Eyeshields, Gloves, type N95 (US)