≥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.
application：
3-Fluoro-4-toluic Acid was used in the synthesis of cyclooxygenase selective and orally active antiinflammatory agents. It was also used to prepare benzamide derivatives as Bcr-Abl kinase inhibitors.
| Pubchem Sid | 488183994 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488183994 |
| Sonrisas canónicas | CC1=C(C=C(C=C1)C(=O)O)F |
| IUPAC Name | 3-fluoro-4-methylbenzoic acid |
| InChIKey | XUQCONCMPCVUDM-UHFFFAOYSA-N |
| INCHI | 1S/C8H7FO2/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4H,1H3,(H,10,11) |
| Isómeros SMILES | CC1=C(C=C(C=C1)C(=O)O)F |
| WGK Alemania | 3 |
| Peso molecular | 154.14 |
| Beilstein | 2574141 |
| Reaxy-Rn | 2574141 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2574141&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 |
| Clase | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Halobenzoic acids and derivatives |
| Direct Parent | Halobenzoic acids |
| Alternative Parents | 3-halobenzoic acids Benzoic acids Benzoyl derivatives Toluenes Fluorobenzenes Aryl fluorides Monocarboxylic acids and derivatives Carboxylic acids Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Halobenzoic acid - 3-halobenzoic acid - 3-halobenzoic acid or derivatives - Benzoic acid - Benzoyl - Toluene - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Organic oxide - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as halobenzoic acids. These are benzoic acids carrying a halogen atom on the benzene ring. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
 H1822035 | Certificate of Analysis | Mar 20, 2026 | F120584 |
| H1822034 | Certificate of Analysis | Mar 20, 2026 | F120584 |
| E1802062 | Certificate of Analysis | Jan 05, 2026 | F120584 |
| E1802060 | Certificate of Analysis | Jan 05, 2026 | F120584 |
| K2130403 | Certificate of Analysis | Sep 09, 2025 | F120584 |
| K2130404 | Certificate of Analysis | Sep 09, 2025 | F120584 |
| A1331006 | Certificate of Analysis | Sep 10, 2024 | F120584 |
| D2313615 | Certificate of Analysis | Apr 26, 2023 | F120584 |
| D2313619 | Certificate of Analysis | Nov 11, 2021 | F120584 |
| Solubilidad | Soluble in methanol |
|---|---|
| Punto de fusión (°C) | 169-171°C |
| Peso molecular | 154.140 g/mol |
| XLogP3 | 1.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 154.043 Da |
| Monoisotopic Mass | 154.043 Da |
| Topological Polar Surface Area | 37.300 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 158.000 |
| 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 |
