≥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.
| Pubchem Sid | 488201736 |
|---|---|
| Canonical Smiles | C1=C(C=C(C(=C1F)F)Br)C(=O)O |
| IUPAC Name | 3-bromo-4,5-difluorobenzoic acid |
| InChIKey | PBUNICLVOHJWRN-UHFFFAOYSA-N |
| INCHI | 1S/C7H3BrF2O2/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2H,(H,11,12) |
| Isomeric SMILES | C1=C(C=C(C(=C1F)F)Br)C(=O)O |
| Molecular Weight | 237 |
| Reaxy-Rn | 28697651 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=28697651&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 | 4-halobenzoic acids 3-halobenzoic acids Benzoic acids Benzoyl derivatives Fluorobenzenes Bromobenzenes Aryl fluorides Aryl bromides Carboxylic acids Organooxygen compounds Organofluorides Organobromides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | 3-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid - 4-halobenzoic acid - 3-halobenzoic acid - Benzoic acid - Benzoyl - Halobenzene - Fluorobenzene - Bromobenzene - Aryl halide - Aryl fluoride - Aryl bromide - Carboxylic acid - Carboxylic acid derivative - Organic oxide - Organooxygen compound - Organofluoride - Organobromide - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - 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 |
|---|---|---|---|
 H2303269 | Certificate of Analysis | May 11, 2026 | B190272 |
| H2303272 | Certificate of Analysis | May 11, 2026 | B190272 |
| H2303275 | Certificate of Analysis | May 11, 2026 | B190272 |
| H2303280 | Certificate of Analysis | May 11, 2026 | B190272 |
| H2303283 | Certificate of Analysis | May 11, 2026 | B190272 |
| H2303288 | Certificate of Analysis | May 11, 2026 | B190272 |
| H2303295 | Certificate of Analysis | May 11, 2026 | B190272 |
| H2303296 | Certificate of Analysis | May 11, 2026 | B190272 |
| J2509475 | Certificate of Analysis | Jul 15, 2023 | B190272 |
| Molecular Weight | 237.000 g/mol |
|---|---|
| XLogP3 | 2.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 235.928 Da |
| Monoisotopic Mass | 235.928 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 |
