4-Bromo-2,6-diisopropylaniline
Product Specifications
- CAS
- 80058-84-0
- MF
- C12H18BrN
- Appearance
- yellow or brown liquid
- Synonym(s)
- 4-broMo-2,6-bis(propan-2-yl)aniline;4-BroMo-2,6-diisopropylaniline; Benzenamine,4-bromo-2,6-bis(1-methylethyl)-; 4-bromo-2,6-diisopropylbenzenamine; 4-Bromo-2,6-diisopropyl-phenylamine; 4-Bromo-2,6-Bis(1-methylethyl)benzemine; 2,6-diisopropyl-4-bromoaniline
- Shipping
- ambient temperature
- Storage
- 2-8°C
4-Bromo-2,6-diisopropylaniline is associated with CAS 80058-84-0 and formula C12H18BrN. The registry number resolves uniquely to PubChem CID 11780114, which lists molecular weight 256.18. The verified atom connections are represented by SMILES CC(C)C1=CC(=CC(=C1N)C(C)C)Br, and InChIKey QAQRHTYPYQPBSX-UHFFFAOYSA-N points to the same neutral molecular structure.
The parent ring is aniline, with the amino group defining position 1. Matching isopropyl groups occupy positions 2 and 6 on either side of that amino substituent, while bromine is para at position 4. This symmetric 2,6-disubstitution accounts for six carbons across the two branched alkyl groups; the aromatic ring provides the other six. The encoded graph has no defined stereochemical layer because each isopropyl carbon bears two identical methyl groups. Moving bromine or either isopropyl group would produce a different positional isomer.
For a precise Rlavie inquiry, provide the complete locanted name, CAS 80058-84-0, and the requested quantity. Attach a MOL or SDF structure file so the aromatic substitution pattern can be checked against PubChem CID 11780114, SMILES CC(C)C1=CC(=CC(=C1N)C(C)C)Br, and InChIKey QAQRHTYPYQPBSX-UHFFFAOYSA-N. The check should establish both ortho isopropyl groups and the para bromine before request-specific details are considered. A generic description such as “bromodiisopropylaniline” lacks those ring locants, while formula C12H18BrN cannot by itself distinguish the possible substitution patterns.