2-Bromo-4-chloro-1-(difluoromethoxy)benzene
Product Specifications
- CAS
- 1214348-81-8
- Molecular Formula
- C7H4BrClF2O
- Appearance
- colorless to pale-yellow liquid
- Synonym(s)
- Benzene, 2-bromo-4-chloro-1-(difluoromethoxy)-
- Shipping
- ambient temperature
- Storage
- 2-8°C
- SMILES
- C1=CC(=C(C=C1Cl)Br)OC(F)F
- InChI
- InChI=1S/C7H4BrClF2O/c8-5-3-4(9)1-2-6(5)12-7(10)11/h1-3,7H
Product Information
2-Bromo-4-chloro-1-(difluoromethoxy)benzene is the CAS 1214348-81-8 identity with molecular formula C7H4BrClF2O. PubChem returns one CID for that CAS, 46311537, and presents the exact page name as both its title and IUPAC designation. The same expression appears in the official synonym set. The three numbered substituents are consequently integral to the identity, not optional qualifiers on a generic halogenated benzene.
Verified SMILES C1=CC(=C(C=C1Cl)Br)OC(F)F shows bromine, chlorine, and an oxygen-linked difluoromethyl group on one aromatic ring. Its graph preserves the 2-bromo and 4-chloro relationship to the difluoromethoxy-bearing carbon. InChIKey XFRGUUPMGQRCGB-UHFFFAOYSA-N matches the complete site InChI and PubChem entry. Formula C7H4BrClF2O supports the elemental count, while the structural notations resolve the positions that formula alone cannot express.
A precise comparison should pair CAS 1214348-81-8 with CID 46311537 and retain the parentheses around the difluoromethoxy group where helpful. In a structure file, oxygen must connect the aromatic carbon to a carbon bearing two fluorines, rather than to either halogen position. The SMILES and InChIKey allow that connection to be checked independently of name formatting. The CID cross-check also fixes the complete aromatic substitution sequence. These verified identifiers scope the page to one graph without supplying unstated physical, commercial, or procedural details.