216089
Methyl 4-chlorobenzoate
99%
Sign In to View Organizational & Contract Pricing.
Select a Size
Change View
About This Item
Linear Formula:
ClC6H4CO2CH3
CAS Number:
Molecular Weight:
170.59
UNSPSC Code:
12352100
PubChem Substance ID:
EC Number:
214-420-9
MDL number:
Assay:
99%
Form:
solid
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
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)
Choose from one of the most recent versions:
Already Own This Product?
Find documentation for the products that you have recently purchased in the Document Library.
On the efficiency of two-coordinate palladium (0)N-heterocyclic carbene complexes in amination and Suzuki-Miyaura reactions of aryl chlorides.
Arentsen K, et al.
Tetrahedron, 61(41), 9710-9715 (2005)
Room temperature dehalogenation of chloroarenes by polymethylhydrosiloxane (PMHS) under palladium catalysis.
Rahaim Jr, et al.
Tetrahedron Letters, 43(49), 8823-8826 (2002)
Drugs and drug metabolites as environmental contaminants: chlorophenoxyisobutyrate and salicyclic acid in sewage water effluent.
C Hignite et al.
Life sciences, 20(2), 337-341 (1977-01-15)
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 216089-100G | 04061831828870 |
| 216089-5G | 04061838774224 |