≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Argon charged Ships Wet ice 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.
| Canonical Smiles | C1=CC(=C(C(=C1C(=O)O)Br)OC(F)F)Br |
|---|---|
| IUPAC Name | 2,4-dibromo-3-(difluoromethoxy)benzoic acid |
| InChIKey | MYABBCIHLRGMEC-UHFFFAOYSA-N |
| INCHI | 1S/C8H4Br2F2O3/c9-4-2-1-3(7(13)14)5(10)6(4)15-8(11)12/h1-2,8H,(H,13,14) |
| Isomeric SMILES | C1=CC(=C(C(=C1C(=O)O)Br)OC(F)F)Br |
| PubChem CID | 2782772 |
| Molecular Weight | 345.92 |
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 4-halobenzoic acids Benzoic acids Phenoxy compounds Phenol ethers 1-carboxy-2-haloaromatic compounds Benzoyl derivatives Bromobenzenes Aryl bromides Vinylogous halides Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Alkyl fluorides Organobromides Organofluorides Organooxygen compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Halobenzoic acid - 4-halobenzoic acid - 2-halobenzoic acid - 4-halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzoic acid - Phenoxy compound - Benzoyl - Phenol ether - 1-carboxy-2-haloaromatic compound - Bromobenzene - Halobenzene - Aryl halide - Aryl bromide - Vinylogous halide - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Organofluoride - Organobromide - Organohalogen compound - Alkyl halide - Alkyl fluoride - Organic oxide - 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 |
| Molecular Weight | 345.920 g/mol |
|---|---|
| XLogP3 | 3.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 345.847 Da |
| Monoisotopic Mass | 343.85 Da |
| Topological Polar Surface Area | 46.500 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 240.000 |
| 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 |
