≥99% 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.
2-Chloro-4,5-difluorobenzoic acid is an important intermediate in medicinal compounds and pesticides. Lanthanide complexes with the 2-chloro-4,5-difluorobenzoate (2-cl-4,5-dfba) and 1,10-phenanthroline (phen), have been prepared and their crystal structures have been studied. Efficient synthesis of 2-chloro-4,5-difluorobenzoic acid v-difluororbenzene has been reported.
| Pubchem Sid | 488191390 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488191390 |
| Canonical Smiles | C1=C(C(=CC(=C1F)F)Cl)C(=O)O |
| IUPAC Name | 2-chloro-4,5-difluorobenzoic acid |
| InChIKey | CGFMLBSNHNWJAW-UHFFFAOYSA-N |
| INCHI | 1S/C7H3ClF2O2/c8-4-2-6(10)5(9)1-3(4)7(11)12/h1-2H,(H,11,12) |
| Isomeric SMILES | C1=C(C(=CC(=C1F)F)Cl)C(=O)O |
| WGK Germany | 3 |
| Molecular Weight | 192.55 |
| Beilstein | 4247522 |
| Reaxy-Rn | 4247522 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4247522&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 | Halobenzoic acids and derivatives |
| Direct Parent | Halobenzoic acids |
| Alternative Parents | 2-halobenzoic acids 3-halobenzoic acids 4-halobenzoic acids Benzoic acids 1-carboxy-2-haloaromatic compounds Benzoyl derivatives Chlorobenzenes Fluorobenzenes Aryl chlorides Aryl fluorides Vinylogous halides Monocarboxylic acids and derivatives Organic oxides Organooxygen compounds Organochlorides Organofluorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | 2-halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - 2-halobenzoic acid - 3-halobenzoic acid - 4-halobenzoic acid - Halobenzoic acid - Benzoic acid - Benzoyl - 1-carboxy-2-haloaromatic compound - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl halide - Aryl fluoride - Aryl chloride - Vinylogous halide - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Organofluoride - Organooxygen compound - Hydrocarbon derivative - Organochloride - Organohalogen compound - Organic oxide - Aromatic homomonocyclic compound |
| Description | 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 | Date | Item |
|---|---|---|---|
 D1613045 | Certificate of Analysis | Dec 14, 2023 | C124000 |
| A2304043 | Certificate of Analysis | Jan 11, 2023 | C124000 |
| A2304044 | Certificate of Analysis | Jan 11, 2023 | C124000 |
| A2305042 | Certificate of Analysis | Jan 11, 2023 | C124000 |
| A2304050 | Certificate of Analysis | Jan 11, 2023 | C124000 |
| F2301001 | Certificate of Analysis | Dec 15, 2022 | C124000 |
| F2302606 | Certificate of Analysis | Dec 15, 2022 | C124000 |
| F2302608 | Certificate of Analysis | Dec 15, 2022 | C124000 |
| F2302609 | Certificate of Analysis | Dec 15, 2022 | C124000 |
| F2302612 | Certificate of Analysis | Dec 15, 2022 | C124000 |
| F2302613 | Certificate of Analysis | Dec 15, 2022 | C124000 |
| Boil Point(°C) | 257-259°C |
|---|---|
| Melt Point(°C) | 104-107°C |
| Molecular Weight | 192.550 g/mol |
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 191.979 Da |
| Monoisotopic Mass | 191.979 Da |
| Topological Polar Surface Area | 37.300 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 188.000 |
| 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 |
