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557331

Sigma-Aldrich

3-Ethynyl-α,α,α-trifluorotoluene

97%

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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

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

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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

Pictograms

FlameExclamation mark
GHS02,GHS07

Signal Word

Danger

Hazard Statements

H225,H302 + H312 + H332

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Flam. Liq. 2

WGK

WGK 3

Flash Point(F)

69.8 °F

Flash Point(C)

21 °C

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

危险化学品

Certificates of Analysis (COA)

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Matthias Wrobel et al.
Beilstein journal of organic chemistry, 8, 1027-1036 (2012-09-29)
A series of substituted diaryltriazoles was prepared by a solid-phase-synthesis protocol using a modified Wang resin. The copper(I)- or ruthenium(II)-catalyzed 1,3-cycloaddition on the polymer bead allowed a rapid synthesis of the target compounds in a parallel fashion with in many
Synthesis, structural analysis, and self-assembly of phenylene ethynylene oligomers and their F, CF3, and CH3 substituted derivatives.
Percec S, et al.
Journal of Polymer Science Part A: Polymer Chemistry, 42(3), 541-550 (2004)

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