1-Ethynyl-4-(trifluoromethyl)benzene , ≥98% , 705-31-7

CAS NO.：705-31-7

Empirical Formula: C9H5F3

Molecular Weight: 170.13

MDL number: MFCD01861903

PRODUCT Properties

• Boiling point: 78-80 °C2 mm Hg(lit.)
• Density: 1.043 g/mL at 25 °C(lit.)
• refractive index: n20/D 1.4650(lit.)
• Flash point: 69 °F
• storage temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• form: Liquid
• color: Clear colorless to yellow
• λmax: 249nm(EtOH)(lit.)
• InChI: InChI=1S/C9H5F3/c1-2-7-3-5-8(6-4-7)9(10,11)12/h1,3-6H
• InChIKey: XTKBMZQCDBHHKY-UHFFFAOYSA-N
• SMILES: C1(C#C)=CC=C(C(F)(F)F)C=C1
• CAS DataBase Reference: 705-31-7(CAS DataBase Reference)

Description and Uses

4-Ethynyl-α,α,α-trifluorotoluene may be used to synthesize the following:

• 6,13-bis(4-trifluoromethylphenylethynyl)pentacene
• 1,2-dialkynylimidazoles
• trans-[Co(cyclam)(p-CCC₆H₄CF₃)₂]OTf complex (where cyclam - 1,4,8,11-tetraazacyclotetradecane; 4-ethynyl-α,α,α-trifluorotoluene - p-CCC₆H₄CF₃; OTf- trifluoromethane sulfonate)
• 3-spiroazetidinimine-2-oxindoles

Safety

• Symbol(GHS): GHS02
• Signal word: Danger
• Hazard statements: H225
• Precautionary statements: P210
• Hazard Codes: F,Xi,F+
• Risk Statements: 11
• Safety Statements: 16-26-36-45
• RIDADR: UN 1993 3/PG 2
• WGK Germany: 3
• Hazard Note: Irritant
• HazardClass: 3
• PackingGroup: Ⅱ
• HS Code: 29039990
• Limited Quantities: 1.0 L (0.3 gallon) (liquid)
• Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)