4-Bromo-2,5-dimethylbenzoic acid
Product Specifications
- CAS
- 276677-03-3
- MF
- C9H9BrO2
- Appearance
- white solid
- Synonym(s)
- Benzoic acid, 4-bromo-2,5-dimethyl-
- Shipping
- ambient temperature
- Storage
- 2-8°C
4-Bromo-2,5-dimethylbenzoic acid is identified by CAS 276677-03-3 and molecular formula C9H9BrO2. PubChem resolves this CAS number to CID 2753479. The public record and Rlavie fields match exactly for molecular formula, SMILES CC1=CC(=C(C=C1Br)C)C(=O)O, and InChIKey PYZYBJKFYYDWPH-UHFFFAOYSA-N. This agreement supplies a consistent, machine-readable identity for the compound listed on the page.
The recorded structure is a benzoic acid framework with a bromo substituent and two methyl substituents at the positions specified in the name. The SMILES expresses that connectivity directly, including the carboxylic acid group. Evaluating the CAS number, PubChem CID, molecular formula, SMILES, and InChIKey together helps distinguish this record from related bromodimethylbenzoic acid positional isomers whose names and formulas can otherwise appear similar.
Reference the complete name 4-Bromo-2,5-dimethylbenzoic acid and CAS 276677-03-3 when discussing this record. PubChem CID 2753479 is the public source for the identity check, and its structure identifiers agree with the cited formula. Including the CAS number, formula, and InChIKey in an information request helps keep the intended compound unambiguous. The same identifier set should accompany the record whenever it is compared across chemical databases. PubChem CID 2753479 and the InChIKey provide direct references for the exact positional structure under review.