≥98% 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.
| Pubchem Sid | 488194564 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488194564 |
| Canonical Smiles | COC1=C(C=CC(=C1F)C(=O)O)F |
| IUPAC Name | 2,4-difluoro-3-methoxybenzoic acid |
| InChIKey | KWLIGHXPUYUTBH-UHFFFAOYSA-N |
| INCHI | 1S/C8H6F2O3/c1-13-7-5(9)3-2-4(6(7)10)8(11)12/h2-3H,1H3,(H,11,12) |
| Isomeric SMILES | COC1=C(C=CC(=C1F)C(=O)O)F |
| Molecular Weight | 188.13 |
| Reaxy-Rn | 10535236 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10535236&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 | Methoxybenzoic acids and derivatives |
| Direct Parent | M-methoxybenzoic acids and derivatives |
| Alternative Parents | 2-halobenzoic acids 4-halobenzoic acids Halobenzoic acids Benzoic acids 1-carboxy-2-haloaromatic compounds Phenoxy compounds Methoxybenzenes Anisoles Benzoyl derivatives Alkyl aryl ethers Fluorobenzenes Aryl fluorides Vinylogous halides Hydrocarbon derivatives Organic oxides Organofluorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | M-methoxybenzoic acid or derivatives - 2-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 2-halobenzoic acid - Halobenzoic acid - 4-halobenzoic acid - Benzoic acid - Phenoxy compound - Benzoyl - Phenol ether - 1-carboxy-2-haloaromatic compound - Anisole - Methoxybenzene - Fluorobenzene - Halobenzene - Alkyl aryl ether - Aryl fluoride - Aryl halide - Vinylogous halide - Carboxylic acid derivative - Carboxylic acid - Ether - Organohalogen compound - Organofluoride - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as m-methoxybenzoic acids and derivatives. These are benzoic acids in which the hydrogen atom at position 3 of the benzene ring is replaced by a methoxy 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 |
|---|---|---|---|
 J2217378 | Certificate of Analysis | Oct 24, 2022 | D155683 |
| J2217369 | Certificate of Analysis | Oct 24, 2022 | D155683 |
| J2217385 | Certificate of Analysis | Oct 24, 2022 | D155683 |
| J2217418 | Certificate of Analysis | Oct 24, 2022 | D155683 |
| C2329910 | Certificate of Analysis | Oct 24, 2022 | D155683 |
| C2329912 | Certificate of Analysis | Oct 24, 2022 | D155683 |
| C2329922 | Certificate of Analysis | Oct 24, 2022 | D155683 |
| C2329923 | Certificate of Analysis | Oct 24, 2022 | D155683 |
| Solubility | Insoluble in water. |
|---|---|
| Melt Point(°C) | 195 °C |
| Molecular Weight | 188.130 g/mol |
| XLogP3 | 1.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 188.029 Da |
| Monoisotopic Mass | 188.029 Da |
| Topological Polar Surface Area | 46.500 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 198.000 |
| 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 |
