Description

4-Bromo-3,3,4,4-tetrafluoro-1-butene (CAS No. 18599-22-9) is a highly specialized fluorinated organic compound with the molecular formula C₄H₃BrF₄. This halogenated alkene is characterized by its unique structure, featuring a bromine atom and four fluorine atoms attached to a butene backbone, making it a valuable intermediate in advanced synthetic chemistry. With an IUPAC name of 4-bromo-3,3,4,4-tetrafluorobut-1-ene, this compound is available in high purity grades suitable for research and industrial applications. Its reactivity and fluorinated nature make it ideal for use in pharmaceuticals, agrochemicals, and material science. Proper handling under inert conditions is recommended due to its potential sensitivity to moisture and air.

Properties

• CAS Number: 18599-22-9
• Complexity: 120
• IUPAC Name: 4-bromo-3,3,4,4-tetrafluoro-but-1-ene
• InChI: InChI=1S/C4H3BrF4/c1-2-3(6,7)4(5,8)9/h2H,1H2
• InChI Key: GVCWGFZDSIWLMO-UHFFFAOYSA-N
• Exact Mass: 205.93543
• Molecular Formula: C4H3BrF4
• Molecular Weight: 206.96
• SMILES: C=CC(C(F)(F)Br)(F)F
• Monoisotopic Mass: 205.93543
• Synonyms: 4-Bromo-3,3,4,4-tetrafluoro-1-butene, 18599-22-9, 4-Bromo-3,3,4,4-tetrafluorobut-1-ene, 1-Butene, 4-bromo-3,3,4,4-tetrafluoro-, EINECS 242-440-8, T08C3OEQ6E, GVCWGFZDSIWLMO-UHFFFAOYSA-, inchi=1/c4h3brf4/c1-2-3(6,7)4(5,8)9/h2h,1h2, MFCD00042189, 4-Bromo-3,3,4,4-tetrafluorobutene-1, 1-Butene,4-bromo-3,3,4,4-tetrafluoro-, C4H3BrF4, UNII-T08C3OEQ6E, SCHEMBL51392, DTXSID4066389, 2-Vinyl(1-bromoperfluoroethane), FD2036, SBB093778, AKOS005762823, FB99448, 1-bromo-1,1,2,2-tetrafluoro-3-butene, AS-48917, SY031401, DB-001284, B3222, NS00018833, EN300-7361993, Q27289505

Application

4-Bromo-3,3,4,4-tetrafluoro-1-butene is primarily used as a key building block in the synthesis of fluorinated organic compounds. Its applications include serving as an intermediate in the development of pharmaceuticals, agrochemicals, and specialty polymers. The compound’s unique reactivity profile allows for selective functionalization in cross-coupling reactions and nucleophilic substitutions. Researchers also utilize it in the study of fluorinated materials for their unique chemical and physical properties.

Safety and Hazards

GHS Hazard Statements

• H225 (10%): Highly Flammable liquid and vapor [Danger Flammable liquids]
• H315 (40%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (60%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
• H336 (20%): May cause drowsiness or dizziness [Warning Specific target organ toxicity, single exposure; Narcotic effects]
• H412 (20%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

Precautionary Statements

• P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P273, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501

Hazard Classes and Categories

• Flam. Liq. 2 (10%)
• Skin Irrit. 2 (40%)
• Eye Irrit. 2 (60%)
• STOT SE 3 (50%)
• STOT SE 3 (20%)
• Aquatic Chronic 3 (20%)

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