≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Desiccated,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 | 504771126 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504771126 |
| Canonical Smiles | CC1=CC(=C(C=C1C(=O)O)F)Br |
| IUPAC Name | 4-bromo-5-fluoro-2-methylbenzoic acid |
| InChIKey | ZIXRUMIXLQUGGN-UHFFFAOYSA-N |
| INCHI | 1S/C8H6BrFO2/c1-4-2-6(9)7(10)3-5(4)8(11)12/h2-3H,1H3,(H,11,12) |
| Isomeric SMILES | CC1=CC(=C(C=C1C(=O)O)F)Br |
| Alternate CAS | 1349715-55-4 |
| Molecular Weight | 233.04 |
| Reaxy-Rn | 29676474 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=29676474&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 Toluenes 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 - Halobenzoic acid - 4-halobenzoic acid - 3-halobenzoic acid - 4-halobenzoic acid or derivatives - Benzoic acid - Benzoyl - Bromobenzene - Fluorobenzene - Halobenzene - Toluene - Aryl fluoride - Aryl bromide - Aryl halide - 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 |
|---|---|---|---|
 I2304199 | Certificate of Analysis | Jun 15, 2026 | B587035 |
| I2304257 | Certificate of Analysis | Jun 15, 2026 | B587035 |
| I2304259 | Certificate of Analysis | Jun 15, 2026 | B587035 |
| I2304260 | Certificate of Analysis | Jun 15, 2026 | B587035 |
| I2304258 | Certificate of Analysis | Aug 22, 2023 | B587035 |
| Melt Point(°C) | 152-153°C |
|---|---|
| Molecular Weight | 233.030 g/mol |
| XLogP3 | 2.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 231.954 Da |
| Monoisotopic Mass | 231.954 Da |
| Topological Polar Surface Area | 37.300 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 186.000 |
| 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 |
