≥95% 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 | 504768469 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504768469 |
| Canonical Smiles | C1=CC(=C(C=C1C(=O)O)Br)I |
| IUPAC Name | 3-bromo-4-iodobenzoic acid |
| InChIKey | XTSUGBHLVDLGFX-UHFFFAOYSA-N |
| INCHI | 1S/C7H4BrIO2/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)I |
| Molecular Weight | 326.9 |
| Reaxy-Rn | 3240829 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3240829&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 Iodobenzenes Bromobenzenes Aryl iodides Aryl bromides Monocarboxylic acids and derivatives Carboxylic acids Organooxygen compounds Organoiodides 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 - Halobenzene - Iodobenzene - Aryl halide - Aryl bromide - Aryl iodide - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organobromide - Organohalogen compound - Organic oxide - Organic oxygen compound - Organoiodide - 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 |
|---|---|---|---|
 C2620035 | Certificate of Analysis | Apr 03, 2026 | B183133 |
| B2208191 | Certificate of Analysis | Nov 19, 2024 | B183133 |
| B2208199 | Certificate of Analysis | Nov 19, 2024 | B183133 |
| B2208200 | Certificate of Analysis | Nov 19, 2024 | B183133 |
| B2208204 | Certificate of Analysis | Nov 19, 2024 | B183133 |
| Molecular Weight | 326.910 g/mol |
|---|---|
| XLogP3 | 2.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 325.844 Da |
| Monoisotopic Mass | 325.844 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 |
