521205
4-Ethynyl-1-fluoro-2-methylbenzene
97%
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About This Item
Linear Formula:
FC6H3(CH3)C≡CH
CAS Number:
Molecular Weight:
134.15
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
InChI
1S/C9H7F/c1-3-8-4-5-9(10)7(2)6-8/h1,4-6H,2H3
SMILES string
Cc1cc(ccc1F)C#C
InChI key
GSGKOWLZNQXGAI-UHFFFAOYSA-N
assay
97%
refractive index
n20/D 1.5210 (lit.)
bp
169-170 °C (lit.)
density
1.007 g/mL at 25 °C (lit.)
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.
signalword
Danger
hcodes
Hazard Classifications
Eye Dam. 1 - Flam. Liq. 3
Storage Class
3 - Flammable liquids
wgk
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
Regulatory Information
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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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