1-Ethynyl-3-(trifluoromethyl)benzene , 98% , 705-28-2

CAS NO.：705-28-2

Empirical Formula: C9H5F3

Molecular Weight: 170.13

MDL number: MFCD00467355

PRODUCT Properties

• Boiling point: 146 °C (lit.)
• Density: 1.178 g/mL at 25 °C (lit.)
• refractive index: n20/D 1.464(lit.)
• Flash point: 95 °F
• storage temp.: 2-8°C, stored under nitrogen
• form: liquid
• color: Lemon to lime
• InChI: 1S/C9H5F3/c1-2-7-4-3-5-8(6-7)9(10,11)12/h1,3-6H
• InChIKey: PAHXLHWOHJTWRU-UHFFFAOYSA-N
• SMILES: FC(F)(F)c1cccc(c1)C#C
• NIST Chemistry Reference: 3-CF3-C6H4-CCH(705-28-2)

Description and Uses

3-Ethynyl-α,α,α-trifluorotoluene may be used to synthesize:

• 1-thioacetyl-4[3-trifluoromethyl-1-(ethynyl)phenyl]benzene
• 4-{[4-(3-(trifluoromethyl)phenyl)-1H-1,2,3-triazol-1-yl]methyl}benzoic acid
• 4-{4-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazol-1-yl}benzoic acid

Safety

• Symbol(GHS): GHS02,GHS07
• Signal word: Danger
• Hazard statements: H225-H302-H312-H332
• Precautionary statements: P210-P280
• PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
• Hazard Codes: Xn
• Risk Statements: 10-20/21/22
• Safety Statements: 16-26-36-45
• RIDADR: UN 1993 3/PG 3
• WGK Germany: 3
• HazardClass: 3
• HS Code: 2902900000
• Storage Class: 3 - Flammable liquids
• Hazard Classifications: Acute Tox. 4 Dermal; Acute Tox. 4 Inhalation; Acute Tox. 4 Oral; Flam. Liq. 2
• Limited Quantities: 1.0 L (0.3 gallon) (liquid)
• Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)