557331

3-Ethynyl-α,α,α-trifluorotoluene

97%

• Linear Formula: HC≡CC₆H₄CF₃
• CAS Number: 705-28-2
• Molecular Weight: 170.13
• MDL number: MFCD00467355
• UNSPSC Code: 12352100
• PubChem Substance ID: 24879663
• NACRES: NA.22

Properties

• assay: 97%
• refractive index: n20/D 1.464 (lit.)
• bp: 146 °C (lit.)
• density: 1.178 g/mL at 25 °C (lit.)
• SMILES string: FC(F)(F)c1cccc(c1)C#C
• InChI: 1S/C9H5F3/c1-2-7-4-3-5-8(6-7)9(10,11)12/h1,3-6H
• InChI key: PAHXLHWOHJTWRU-UHFFFAOYSA-N

Description

Application

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 Information

• pictograms: GHS02,GHS07
• signalword: Danger
• hcodes: H225,H302 + H312 + H332
• pcodes: P210 - P233 - P280 - P301 + P312 - P303 + P361 + P353 - P304 + P340 + P312
• Hazard Classifications: Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Flam. Liq. 2
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 3
• flash_point_f: 69.8 °F - closed cup
• flash_point_c: 21 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter