Description

Benzene, (1,2,2-trifluoroethenyl)- (CAS No. 447-14-3) is a high-purity fluorinated aromatic compound with the molecular formula C₈H₅F₃. Also known as 1,2,2-trifluoroethenylbenzene, this specialty chemical is characterized by its unique trifluoroethenyl functional group attached to a benzene ring, offering distinct reactivity and physicochemical properties. It is supplied as a clear, colorless to pale yellow liquid with a molecular weight of 158.12 g/mol. This compound is meticulously synthesized and purified to meet rigorous analytical standards (typically ≥95% purity by GC), making it ideal for advanced research applications in organofluorine chemistry, materials science, and pharmaceutical development. Proper storage under inert atmosphere at 2-8°C is recommended to maintain stability.

Key Attributes:
– IUPAC Name: 1,2,2-trifluoroethenylbenzene
– Synonyms: (Trifluorovinyl)benzene, (Trifluoroethenyl)benzene
– Boiling Point: ~150-155°C (estimated)
– Density: ~1.2 g/cm³ at 25°C
– Hazard Codes: Xi (Irritant)
– Packaged in amber glass bottles with PTFE-lined caps to prevent moisture ingress and degradation.

Properties

• CAS Number: 447-14-3
• Complexity: 153
• IUPAC Name: 1,2,2-trifluorovinylbenzene
• InChI: InChI=1S/C8H5F3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5H
• InChI Key: SUTQSIHGGHVXFK-UHFFFAOYSA-N
• Exact Mass: 158.03433465
• Molecular Formula: C8H5F3
• Molecular Weight: 158.12
• SMILES: C1=CC=C(C=C1)C(=C(F)F)F
• Monoisotopic Mass: 158.03433465
• Synonyms: (Trifluorovinyl)benzene, (Trifluoroethenyl)benzene, Benzene, (trifluoroethenyl)-, Styrene, alpha,beta,beta-trifluoro-, EINECS 207-180-1, Benzene, (1,2,2-trifluoroethenyl)-, NSC 121160, BRN 1908586, (1,2,2-trifluoroethenyl)benzene, 4-05-00-01344 (Beilstein Handbook Reference), 207-180-1, 447-14-3, Trifluorostyrene, 1′,2′,2′-Trifluorostyrene, (1,2,2-trifluorovinyl)benzene, 1,2,2-trifluoroethenylbenzene, alpha,beta,beta-Trifluorostyrene, Benzene,(1,2,2-trifluoroethenyl)-, 1,2,2-Trifluorovinylbenzene, NSC-121160, .alpha.,.beta.,.beta.-Trifluorostyrene, NSC121160, YZB7BS8U6Q, SCHEMBL285854, DTXSID1060003, SCHEMBL18394048, .alpha.,.beta.-Trifluorostyrene, .alpha.,.beta.’-Trifluorostyrene, Styrene,.beta.,.beta.-trifluoro-, 1-(1,2,2-trifluorovinyl)benzene, MFCD00221781, SBB087265, AKOS005762826, A7099, NS00043975, Q6152617

Application

This fluorinated styrene derivative serves as a versatile building block in synthetic organic chemistry, particularly for introducing trifluoroethenyl groups into target molecules. Researchers utilize it in the development of advanced polymeric materials with enhanced thermal and chemical resistance properties. The compound finds specialized use in pharmaceutical intermediates where fluorine substitution modulates biological activity. It also shows promise in materials science for creating fluorinated liquid crystals or dielectric materials.

Safety and Hazards

GHS Hazard Statements

• H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

Precautionary Statements

• P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501

Hazard Classes and Categories

• Flam. Liq. 3 (100%)

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