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Sigma-Aldrich

1-Ethynyl-2-fluorobenzene

97%

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Linear Formula:
FC6H4C≡CH
CAS Number:
766-49-4
Molecular Weight:
120.12
MDL number:
MFCD00799540
PubChem Substance ID:
24870376
NACRES:
NA.22

Assay

97%

refractive index

n20/D 1.526 (lit.)

bp

150 °C (lit.)

density

1.06 g/mL at 25 °C (lit.)

storage temp.

2-8°C

SMILES string

Fc1ccccc1C#C

InChI

1S/C8H5F/c1-2-7-5-3-4-6-8(7)9/h1,3-6H

InChI key

YFPQIXUNBPQKQR-UHFFFAOYSA-N

Related Categories

General description

1-Ethynyl-2-fluorobenzene, a fluorinated benzene derivative, is a terminal alkyne.

Application

1-Ethynyl-2-fluorobenzene has been employed in the cross-coupling of phenylacetylenes. It may be used in the preparation of 3-(2-deoxy-β-D-ribofuranosyl)-6-(2-fluorophenyl)-2,3-dihydrofuro-[2,3-d]pyrimidin-2-one and 4-(2-fluorophenylethynyl)-3-methyl-5-phenylisoxazole.

Pictograms

FlameExclamation mark
GHS02,GHS07

Signal Word

Warning

Hazard Statements

H226 - H315 - H319 - H335

Hazard Classifications

Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

98.6 °F - closed cup

Flash Point(C)

37 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

危险化学品

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Macromolecular Chemistry and Physics, 196, 1769-1769 (1995)
Tetrahedron Letters, 35, 3689-3689 (1994)
Halophenyl furanopyrimidines as potent and selective anti-VSV agents.
McGuigan C, et al.
Antiviral Chem. Chemother., 14(3), 165-165 (2003)
Synthesis and Biological Evaluation of Novel 1, 2, 3-Triazolonucleotides.
Glowacka IE, et al.
Arch. Pharm. (Weinheim), 346(4), 278-291 (2013)
Synthesis of 3, 4, 5-Trisubstituted Isoxazoles through Gold-Catalyzed Cascade Cyclization- Oxidative Alkynylation and Cyclization-Fluorination of 2-Alkynone O-Methyloximes.
Song D-H and Ryu J-S.
Bull. Korean Chem. Soc., 35(19), 2635-2644 (2014)
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