≥96%(T) 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 | 488184547 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488184547 |
| Canonical Smiles | C1=CC(=C(C=C1C(=O)O)Br)F |
| IUPAC Name | 3-bromo-4-fluorobenzoic acid |
| InChIKey | ONELILMJNOWXSA-UHFFFAOYSA-N |
| INCHI | 1S/C7H4BrFO2/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3H,(H,10,11) |
| Isomeric SMILES | C1=CC(=C(C=C1C(=O)O)Br)F |
| WGK Germany | 3 |
| Molecular Weight | 219.01 |
| Beilstein | 9(3)1426 |
| Reaxy-Rn | 2438795 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2438795&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 Monocarboxylic acids and derivatives Carboxylic acids Organooxygen compounds Organofluorides Organobromides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | 3-halobenzoic acid or derivatives - Halobenzoic acid - 4-halobenzoic acid - 3-halobenzoic acid - 4-halobenzoic acid or derivatives - Benzoic acid - Benzoyl - Bromobenzene - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl bromide - Aryl halide - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organobromide - Organohalogen compound - Organic oxide - Organic oxygen compound - Organofluoride - Organooxygen 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 |
|---|---|---|---|
 G2311573 | Certificate of Analysis | Apr 07, 2026 | B152970 |
| G2311574 | Certificate of Analysis | Apr 07, 2026 | B152970 |
| G2311575 | Certificate of Analysis | Apr 07, 2026 | B152970 |
| G2311576 | Certificate of Analysis | Apr 07, 2026 | B152970 |
| G2311587 | Certificate of Analysis | Apr 07, 2026 | B152970 |
| G2311591 | Certificate of Analysis | Apr 07, 2026 | B152970 |
| G2311706 | Certificate of Analysis | Apr 07, 2026 | B152970 |
| J1925050 | Certificate of Analysis | May 12, 2025 | B152970 |
| G2415398 | Certificate of Analysis | Apr 29, 2024 | B152970 |
| G2415410 | Certificate of Analysis | Apr 29, 2024 | B152970 |
| Melt Point(°C) | 136-140℃ |
|---|---|
| Molecular Weight | 219.010 g/mol |
| XLogP3 | 2.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 217.938 Da |
| Monoisotopic Mass | 217.938 Da |
| Topological Polar Surface Area | 37.300 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 163.000 |
| 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 |
