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521183

Sigma-Aldrich

2-Ethynyl-α,α,α-trifluorotoluene

97%

Synonym(s):

1-Ethynyl-2-trifluoromethylbenzene

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About This Item

Linear Formula:
HC≡CC6H4CF3
CAS Number:
704-41-6
Molecular Weight:
170.13
MDL number:
MFCD00467313
UNSPSC Code:
12352100
PubChem Substance ID:
24874193
NACRES:
NA.22

Quality Level

100

Assay

97%

refractive index

n20/D 1.4760 (lit.)

bp

45 °C/8 mmHg (lit.)

density

1.222 g/mL at 25 °C (lit.)

functional group

fluoro

SMILES string

FC(F)(F)c1ccccc1C#C

InChI

1S/C9H5F3/c1-2-7-5-3-4-6-8(7)9(10,11)12/h1,3-6H

InChI key

OOZKONVIIMFOKW-UHFFFAOYSA-N

Related Categories

Pictograms

Flame
GHS02

Signal Word

Warning

Hazard Statements

H226

Hazard Classifications

Flam. Liq. 3

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

77.0 °F - closed cup

Flash Point(C)

25 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
MKCK0480
MKCD5591
MKBQ2688V
MKBN8283V
MKBL5427V

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Sigma-Aldrich

593001

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New Aromatic Terminal Alkynes

The terminal alkyne functionality has a wide range of applications including most recently the synthesis of spiropyran substituted 2,3-dicyanopyrazines and (±)-asteriscanolide, as well as conversion to enamines using resin-bound 2° amines.

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