Description
1,3-Dibromo-2,5-difluorobenzene (CAS No. 128259-68-7) is a high-purity halogenated aromatic compound with the molecular formula C6H2Br2F2. This specialty chemical features a benzene ring substituted with two bromine atoms at the 1 and 3 positions and two fluorine atoms at the 2 and 5 positions, offering unique reactivity for advanced synthetic applications. With a molecular weight of 271.89 g/mol, this compound is supplied as a crystalline solid with exceptional purity (>98%) suitable for research and industrial use. Its distinct electronic properties make it valuable as a building block in pharmaceuticals, agrochemicals, and materials science. The compound is packaged under inert gas to ensure stability and is available in quantities ranging from grams to kilograms.
Key identifiers:
- CAS: 128259-68-7
- EC Number: 815-164-6
- MDL: MFCD09878120
Properties
- CAS Number: 128259-68-7
- Complexity: 108
- IUPAC Name: 1,3-dibromo-2,5-difluoro-benzene
- InChI: InChI=1S/C6H2Br2F2/c7-4-1-3(9)2-5(8)6(4)10/h1-2H
- InChI Key: QTZSKHCRRPXONC-UHFFFAOYSA-N
- Exact Mass: 271.84708
- Molecular Formula: C6H2Br2F2
- Molecular Weight: 271.88
- SMILES: C1=C(C=C(C(=C1Br)F)Br)F
- Monoisotopic Mass: 269.84913
- Synonyms: 1,3-Dibromo-2,5-difluorobenzene, 128259-68-7, 815-164-6, Benzene, 1,3-dibromo-2,5-difluoro-, MFCD09878120, SCHEMBL1494587, QTZSKHCRRPXONC-UHFFFAOYSA-N, DFA25968, AKOS024121025, FD10719, DS-10154, SY117603, DB-097692, CS-0060164, EN300-178771
Application
1,3-Dibromo-2,5-difluorobenzene serves as a versatile intermediate in organic synthesis, particularly in Suzuki-Miyaura cross-coupling reactions to create complex biaryl structures. Its electron-deficient aromatic ring system is valuable for developing pharmaceutical candidates and liquid crystal materials. The compound’s dual halogen substitution pattern enables selective functionalization in medicinal chemistry applications.
Safety and Hazards
GHS Hazard Statements
- H302 (75%): Harmful if swallowed [Warning Acute toxicity, oral]
- H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
- H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
- H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statements
- P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Hazard Classes and Categories
- Acute Tox. 4 (75%)
- Skin Irrit. 2 (100%)
- Eye Irrit. 2 (100%)
- STOT SE 3 (100%)
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