≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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.
3-(Chloromethyl)benzoic acid (m-Chloromethylbenzoic acid) is a meta-substituted benzoic acid derivative. Correlations between Hammett substituent constants and calculated dipole moments and molecular transform and normalized molecular moment structure indices for m-chloromethylbenzoic acid was investigated. Hammett constants were observed to be linearly related only to the normalized charge moment index.
| Pubchem Sid | 504758052 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504758052 |
| Canonical Smiles | C1=CC(=CC(=C1)C(=O)O)CCl |
| IUPAC Name | 3-(chloromethyl)benzoic acid |
| InChIKey | PBSUMBYSVFTMNG-UHFFFAOYSA-N |
| INCHI | 1S/C8H7ClO2/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4H,5H2,(H,10,11) |
| Isomeric SMILES | C1=CC(=CC(=C1)C(=O)O)CCl |
| WGK Germany | 3 |
| Molecular Weight | 170.59 |
| Beilstein | 637114 |
| Reaxy-Rn | 637114 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=637114&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 acids |
| Alternative Parents | Benzyl chlorides Benzoyl derivatives Monocarboxylic acids and derivatives Carboxylic acids Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzoic acid - Benzoyl - Benzyl chloride - Benzyl halide - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Alkyl halide - Organooxygen compound - Organochloride - Organohalogen compound - Alkyl chloride - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl group. |
| 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 |
|---|---|---|---|
 I2217124 | Certificate of Analysis | Apr 03, 2026 | C135452 |
| I2217125 | Certificate of Analysis | Apr 03, 2026 | C135452 |
| I2217126 | Certificate of Analysis | Apr 03, 2026 | C135452 |
| I2217138 | Certificate of Analysis | Apr 03, 2026 | C135452 |
| J1620065 | Certificate of Analysis | Nov 06, 2025 | C135452 |
| J2423112 | Certificate of Analysis | Aug 23, 2022 | C135452 |
| Solubility | Soluble in methanol. |
|---|---|
| Melt Point(°C) | 136-138 °C |
| Molecular Weight | 170.590 g/mol |
| XLogP3 | 2.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 170.013 Da |
| Monoisotopic Mass | 170.013 Da |
| Topological Polar Surface Area | 37.300 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 147.000 |
| 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 |
