Description

4-Bromo-1,1,2-trifluoro-1-butene (CAS No. 10493-44-4) is a high-purity halogenated alkene with the molecular formula C₄H₄BrF₃, widely utilized in advanced organic synthesis and pharmaceutical research. This compound, also known by its IUPAC name 4-bromo-1,1,2-trifluorobut-1-ene, features a reactive bromine substituent and trifluoromethyl groups, making it a versatile building block for fluorinated intermediates. Its unique structure enables applications in cross-coupling reactions, nucleophilic substitutions, and as a precursor for agrochemicals or specialty materials. Packaged under inert conditions to ensure stability, our product undergoes rigorous QC testing (GC, NMR) to guarantee ≥98% purity, meeting the stringent demands of research and industrial applications.

Properties

• CAS Number: 10493-44-4
• Complexity: 95.5
• IUPAC Name: 4-bromo-1,1,2-trifluoro-but-1-ene
• InChI: InChI=1S/C4H4BrF3/c5-2-1-3(6)4(7)8/h1-2H2
• InChI Key: GQCQMFYIFUDARF-UHFFFAOYSA-N
• Exact Mass: 187.94485
• Molecular Formula: C4H4BrF3
• Molecular Weight: 188.97
• SMILES: C(CBr)C(=C(F)F)F
• Monoisotopic Mass: 187.94485
• Physical Description: Colorless liquid;
• Synonyms: 4-Bromo-1,1,2-trifluoro-1-butene, 4-Bromo-1,1,2-trifluorobut-1-ene, 4-Bromo-1,1,2-trifluorobutene-1, 1-Butene, 4-bromo-1,1,2-trifluoro-, Q79PK8P9BW, 4-bromo-1,1,2-trifluorobutene, GQCQMFYIFUDARF-UHFFFAOYSA-, DTXSID20146838, 4Bromo1,1,2trifluorobut1ene, DTXCID6069329, gqcqmfyifudarf-uhfffaoysa-n, inchi=1/c4h4brf3/c5-2-1-3(6)4(7)8/h1-2h2, un1993, 10493-44-4, 1,1,2-trifluoro-4-bromobutene, EINECS 234-019-2, MFCD00039274, UNII-Q79PK8P9BW, SCHEMBL51926, 3,4,4-trifluoro-3-butenyl bromide, 3,4,4-trifluorobut-3-enyl bromide, 1-bromo-3,4,4-trifluoro-3-butene, SBB006604, AKOS005762858, 3,4,4-Trifluorobut-3-en-1-yl bromide, BS-23217, DB-040574, 4-Bromo-1,1,2-trifluoro-1-butene, 97%, CS-0158424, NS00055312, EN300-94870, D94711, 4-Bromo-1 pound not1 pound not2-trifluoro-1-butene

Application

4-Bromo-1,1,2-trifluoro-1-butene serves as a key intermediate in the synthesis of fluorinated organic compounds, particularly in pharmaceuticals and agrochemicals. Its bromine and fluorine moieties facilitate participation in Suzuki-Miyaura and other cross-coupling reactions to construct complex molecules. Researchers also employ it to introduce trifluoromethyl groups into target structures, enhancing metabolic stability in drug discovery. Additionally, it is used in material science to develop fluoropolymers with unique thermal and chemical resistance properties.

Safety and Hazards

GHS Hazard Statements

• H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
• H302 (88.9%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (88.9%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (88.9%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (95.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501

Hazard Classes and Categories

• Flam. Liq. 2 (100%)
• Acute Tox. 4 (88.9%)
• Acute Tox. 4 (88.9%)
• Eye Irrit. 2 (100%)
• Acute Tox. 4 (88.9%)
• STOT SE 3 (95.6%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.