557331
3-Ethynyl-α,α,α-trifluorotoluene
97%
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About This Item
Linear Formula:
HC≡CC6H4CF3
CAS Number:
Molecular Weight:
170.13
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Assay:
97%
InChI
1S/C9H5F3/c1-2-7-4-3-5-8(6-7)9(10,11)12/h1,3-6H
SMILES string
FC(F)(F)c1cccc(c1)C#C
InChI key
PAHXLHWOHJTWRU-UHFFFAOYSA-N
assay
97%
refractive index
n20/D 1.464 (lit.)
bp
146 °C (lit.)
density
1.178 g/mL at 25 °C (lit.)
functional group
fluoro
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
signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Flam. Liq. 2
Storage Class
3 - Flammable liquids
wgk
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
Regulatory Information
危险化学品
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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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