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521205

Sigma-Aldrich

4-Ethynyl-1-fluoro-2-methylbenzene

97%

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About This Item

Linear Formula:
FC6H3(CH3)C≡CH
CAS Number:
351002-93-2
Molecular Weight:
134.15
MDL number:
MFCD06200682
UNSPSC Code:
12352100
PubChem Substance ID:
24874195
NACRES:
NA.22

assay

97%

refractive index

n20/D 1.5210 (lit.)

bp

169-170 °C (lit.)

density

1.007 g/mL at 25 °C (lit.)

SMILES string

Cc1cc(ccc1F)C#C

InChI

1S/C9H7F/c1-3-8-4-5-9(10)7(2)6-8/h1,4-6H,2H3

InChI key

GSGKOWLZNQXGAI-UHFFFAOYSA-N

General description

4-Ethynyl-1-fluoro-2-methylbenzene has been reported to afford 1,4-disubstituted 1,2,3-triazole on reaction with azide under typical Cu(I)-catalyzed azide alkyne cycloaddition (CuAAC) conditions.[1]

pictograms

FlameCorrosion
GHS02,GHS05

signalword

Danger

hcodes

H226,H318

Hazard Classifications

Eye Dam. 1 - Flam. Liq. 3

Storage Class

3 - Flammable liquids

wgk_germany

WGK 3

flash_point_f

100.0 °F - closed cup

flash_point_c

37.8 °C - closed cup

ppe

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

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Certificates of Analysis (COA)

Lot/Batch Number
MKBB6821V
08321JE
04915AC

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Janina Moeker et al.
Journal of medicinal chemistry, 57(8), 3522-3531 (2014-04-03)
Carbonic anhydrase IX (CA IX) is a target for hypoxic cancer therapies, and the discovery of CA IX selective ligands is imperative for the development of these agents. Primary sulfonamides are broad specificity inhibitors of CA enzymes, while secondary sulfonamides

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