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Methyl 4-chlorobenzoate

Name: Methyl 4-chlorobenzoate
Brand: ALDRICH

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About This Item

Linear Formula:

ClC₆H₄CO₂CH₃

CAS Number:

1126-46-1

Molecular Weight:

170.59

UNSPSC Code:

12352100

PubChem Substance ID:

24852938

EC Number:

214-420-9

MDL number:

MFCD00000621

Assay:

99%

Form:

solid

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Properties

assay

99%

form

solid

mp

42-44 °C (lit.)

functional group

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

Description

General description

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.

Application

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

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

224.6 °F - closed cup

flash_point_c

107.00 °C - closed cup

ppe

Eyeshields, Gloves, type N95 (US)

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