Description

5-Bromo-4-chloro-4,5,5-trifluoropent-2-ene (CAS No. 356-73-0) is a high-purity halogenated fluorinated organic compound with the molecular formula C₅H₅BrClF₃. This specialty chemical is engineered for advanced synthetic applications in pharmaceutical, agrochemical, and materials science research. Its unique structure, featuring bromo, chloro, and trifluoro functional groups, makes it a versatile intermediate for nucleophilic substitution reactions, cross-coupling methodologies, and fluorinated building block synthesis. Supplied as a clear to pale-yellow liquid with >95% purity (GC), it is rigorously tested for consistency and stored under inert conditions to ensure stability. Ideal for researchers requiring precise fluorinated scaffolds, this compound is packaged in amber glass vials with detailed technical documentation, including NMR, GC-MS, and HPLC analytical data.

Properties

• CAS Number: 356-73-0
• Complexity: 148
• IUPAC Name: (E)-5-bromo-4-chloro-4,5,5-trifluoro-pent-2-ene
• InChI: InChI=1S/C5H5BrClF3/c1-2-3-4(7,8)5(6,9)10/h2-3H,1H3/b3-2+
• InChI Key: QQVDBKBIOLTXSK-NSCUHMNNSA-N
• Exact Mass: 235.92152
• Molecular Formula: C5H5BrClF3
• Molecular Weight: 237.44
• SMILES: C/C=C/C(C(F)(F)Br)(F)Cl
• Monoisotopic Mass: 235.92152
• Synonyms: 5-bromo-4-chloro-4,5,5-trifluoropent-2-ene, 356-73-0, (E)-5-bromo-4-chloro-4,5,5-trifluoropent-2-ene, 1-Bromo-2-chloro-1,1,2-trifluoro-3-pentene, (2E)-5-bromo-4-chloro-4,5,5-trifluoropent-2-ene, SCHEMBL1015879, MFCD00153682, SBB098830, AKOS015833883, AKOS025309986, 5-Bromo-4-chloro-4,5,5-trifluoro-2-pentene

5-Bromo-4-chloro-4,5,5-trifluoropent-2-ene serves as a critical intermediate in the synthesis of fluorinated pharmaceuticals, particularly in the development of protease inhibitors and PET radiotracers. Its reactive halogen sites enable facile functionalization for complex molecule construction in medicinal chemistry. The compound is also utilized in materials science for modifying polymer backbones to enhance thermal and chemical resistance. Researchers leverage its trifluoromethyl group to introduce lipophilicity and metabolic stability in drug candidates.

Safety and Hazards

GHS Hazard Statements

• 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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (100%)

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