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216089 Sigma-Aldrich

Methyl 4-chlorobenzoate

99%

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Properties

Related Categories Building Blocks, C8 to C9, Carbonyl Compounds, Chemical Synthesis, Esters,
Quality Level   100
assay   99%
mp   42-44 °C (lit.)
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.

Packaging

5, 100 g in glass bottle

Safety & Documentation

Safety Information

Personal Protective Equipment 
RIDADR 
NONH for all modes of transport
WGK Germany 
WGK 3
Flash Point(F) 
224.6 °F - closed cup
Flash Point(C) 
107.00 °C - closed cup
Protocols & Articles
Peer-Reviewed Papers
15

References

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