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Sigma-Aldrich

1-Ethynyl-2-fluorobenzene

97%

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About This Item

Linear Formula:
FC6H4C≡CH
CAS Number:
766-49-4
Molecular Weight:
120.12
MDL number:
MFCD00799540
UNSPSC Code:
12352100
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

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

signalword

Warning

Hazard Classifications

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

target_organs

Respiratory system

Storage Class

3 - Flammable liquids

wgk_germany

WGK 3

flash_point_f

98.6 °F - closed cup

flash_point_c

37 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Macromolecular Chemistry and Physics, 196, 1769-1769 (1995)
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)
Synthesis and Biological Evaluation of Novel 1, 2, 3-Triazolonucleotides.
Glowacka IE, et al.
Arch. Pharm. (Weinheim), 346(4), 278-291 (2013)
Synthesis of Novel 1-Hydroxy-2-(1, 2, 3-triazol-1-yl) ethylphosphonates and 2-Hydroxy-3-(1, 2, 3-triazol-1-yl) propylphosphonates.
Glowacka IE, et al.
Phosphorus, Sulfur, and Silicon and the Related Elements, 186(3), 431-449 (2011)
Tetrahedron Letters, 35, 3689-3689 (1994)
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