1-ETHYNYL-2-FLUOROBENZENE
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1-ETHYNYL-2-FLUOROBENZENE
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CAS No:
766-49-4
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Formula:
C8H5F
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Chemical Name:
1-ETHYNYL-2-FLUOROBENZENE
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Synonyms:
2-FLUOROPHENYLACETYLENE;2'-FLUOROPHENYL ACETYLENE;1-ETHYNYL-2-FLUOROBENZENE;2-Fluorophenylacetylene 97%;Benzene, 1-ethynyl-2-fluoro-;1-Ethynyl-2-fluorobenzene,97%;1-Ethynyl-2-fluorobenzene, 97% 1GR;1-Ethynyl-2-fluorobenzene, 97% 250MG;Benzene, 1-ethynyl-2-fluoro- (7CI, 8CI, 9CI)
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CAS No:
Characteristics
0
2.3
Clear yellow to brownish Liquid
1.1±0.1 g/cm3
150 °C
37 °C
1.516
Refrigerator (+4°C)
Safety Information
Ⅲ
3
UN19933/PG3
3
36/37/38-10
37/39-26-16-36
Xi
Irritant
P261-P305 + P351 + P338
H226-H315-H319-H335
|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 42 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
1-ETHYNYL-2-FLUOROBENZENE Use and Manufacturing
General procedure: Following a modified literature procedure[10] dibromoalkenes S2 (1.0 equiv.), Cs2CO3 (2.5 equiv.) and DMSO (0.1M) are mixed in a sealed tube and heated to 115 °C overnight. The reaction is quenched by pouring the reaction mixture into brine (20 mL/mmol). The resulting mixture is extracted with tert-butyl methyl ether (3x10 mL/mmol) and the combined organic layers are washed with brine (15 mL/mmol) and dried over Na2SO4. Removal of all volatiles gives the crude product which is purified by flash column chromatography to afford the terminal alkynes S3.
Employed in studies on the polymerization1 and cross-coupling2 of phenylacetylenes.
Computed Properties
Molecular Weight:120.12
XLogP3:2.3
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:120.037528322
Monoisotopic Mass:120.037528322
Heavy Atom Count:9
Complexity:131
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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