4-Bromo-2-tert-butylphenol
Product Specifications
- CAS
- 10323-39-4
- MF
- C10H13BrO
- Appearance
- yellow or brown liquid
- Synonym(s)
- 4-Bromo-2-(tert-butyl)phenol; Phenol,4-bromo-2-(1,1-dimethylethyl)-; 2-tert-Butyl-4-bromophenol
- Shipping
- ambient temperature
- Storage
- 2-8°C
4-Bromo-2-tert-butylphenol is indexed by CAS 10323-39-4 and PubChem CID 97068. The verified molecular formula, C10H13BrO, specifies ten carbon atoms, thirteen hydrogen atoms, one bromine atom, and one oxygen atom. PubChem expresses the bonding pattern as CC(C)(C)C1=C(C=CC(=C1)Br)O. The structure-derived comparison key is IKMJSWBFODAWTC-UHFFFAOYSA-N.
Phenol establishes the hydroxy-bearing aromatic carbon as position 1. Relative to that point, the tert-butyl group sits at position 2 and bromine at position 4. The branched tert-butyl fragment contributes a central carbon bonded to three methyl groups and to the ring. Bromine is para to the phenolic hydroxyl, whereas the bulky carbon substituent is ortho. This exact placement, rather than only the presence of bromine and a butyl fragment, is what the locants preserve. The public graph contains no disconnected component or stereochemical designation.
The elemental formula cannot separate this record from positional alternatives that contain the same atom totals. Its SMILES resolves that limitation by tracing the substituted aromatic ring and the branched carbon topology. CAS 10323-39-4 and CID 97068 then connect that graph to two numeric identity systems. Finally, InChIKey IKMJSWBFODAWTC-UHFFFAOYSA-N offers a compact value for exact comparison. Together, the name, locants, formula, and digital identifiers fix the intended 4-bromo and 2-tert-butyl relationship and prevent confusion with differently numbered bromotert-butylphenols.