≥98%(GC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
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。
Methyl 4-chlorobenzoate was used in quantitative determination of chlorophenoxyisobutyrate (CPIB) and salicylic acid, the metabolites of clofibrate and aspirin, by GC-MS method。
| Pubchem Sid | 504752549 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504752549 |
| Canonical Smiles | COC(=O)C1=CC=C(C=C1)Cl |
| IUPAC Name | methyl 4-chlorobenzoate |
| InChIKey | LXNFVVDCCWUUKC-UHFFFAOYSA-N |
| INCHI | 1S/C8H7ClO2/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,1H3 |
| Isomeric SMILES | COC(=O)C1=CC=C(C=C1)Cl |
| WGK Germany | 3 |
| Molecular Weight | 170.59 |
| Beilstein | 9340 |
| Reaxy-Rn | 1564310 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1564310&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzoic acid esters |
| Alternative Parents | 4-halobenzoic acids and derivatives Benzoyl derivatives Chlorobenzenes Aryl chlorides Methyl esters Monocarboxylic acids and derivatives Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzoate ester - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoyl - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 G2215733 | Certificate of Analysis | Apr 07, 2026 | M158002 |
| G2215736 | Certificate of Analysis | Apr 07, 2026 | M158002 |
| G2215737 | Certificate of Analysis | Apr 07, 2026 | M158002 |
| G2215738 | Certificate of Analysis | Apr 07, 2026 | M158002 |
| G2215787 | Certificate of Analysis | Apr 07, 2026 | M158002 |
| G1813050 | Certificate of Analysis | Feb 05, 2026 | M158002 |
| L2406331 | Certificate of Analysis | Mar 29, 2022 | M158002 |
| Sensitivity | Heat Sensitive |
|---|---|
| Flash Point(°F) | 224.6 °F |
| Flash Point(°C) | 107 °C |
| Boil Point(°C) | 137°C/10mmHg(lit.) |
| Melt Point(°C) | 42-44°C |
| Molecular Weight | 170.590 g/mol |
| XLogP3 | 2.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 170.013 Da |
| Monoisotopic Mass | 170.013 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 139.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
