ChemicalBook--->CAS DataBase List--->766-98-3

766-98-3

766-98-3 Structure

766-98-3 Structure
IdentificationMore
[Name]

4-Fluorophenylacetylene
[CAS]

766-98-3
[Synonyms]

1-ETHYNYL-4-FLUOROBENZENE
4'-FLUOROPHENYL ACETYLENE
4-FLUOROPHENYLACETYLENE
(p-Fluorophenyl)acetylene
Benzene, 1-ethynyl-4-fluoro-
1-ETHYNYL-4-FLUOROBENZENE 99%
1-ETHINYL-4-FLUOR-BENZOL
Benzene, 1-ethynyl-4-fluoro-(6CI, 7CI, 8CI, 9CI)
4-Fluorophenylacetylene 98%
4-Fluorophenylacetylene98%
1-(4-Fluorophenyl)ethyne
1-Fluoro-4-ethynylbenzene
4-Ethynyl-1-fluorobenzene
[Molecular Formula]

C8H5F
[MDL Number]

MFCD00168823
[Molecular Weight]

120.12
[MOL File]

766-98-3.mol
Chemical PropertiesBack Directory
[Appearance]

White Crystalline Solid
[Melting point ]

26-27 °C(lit.)
[Boiling point ]

55-56 °C40 mm Hg(lit.)
[density ]

1.048 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.516(lit.)
[Fp ]

29 °C
[storage temp. ]

2-8°C
[solubility ]

soluble in Chloroform, Diethyl Ether, Ethanol
[form ]

Liquid After Melting
[color ]

Clear colorless to yellow
[Specific Gravity]

1.048
[Water Solubility ]

Soluble in chloroform, diethyl ether, acetone, dichloromethane, hexane and ethanol. Highly soluble in toluene. Insoluble in water.
[Usage]

Intermediates of Liquid Crystals
[BRN ]

1099285
[InChI]

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

QXSWHQGIEKUBAS-UHFFFAOYSA-N
[SMILES]

Fc1ccc(cc1)C#C
[CAS DataBase Reference]

766-98-3(CAS DataBase Reference)
[NIST Chemistry Reference]

4-FC6H4CCH(766-98-3)
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)Exclamation Mark (GHS07)
GHS02,GHS07
[Signal word ]

Danger
[Hazard statements ]

H228-H315-H319-H335
[Precautionary statements ]

P210-P240-P241-P261-P302+P352-P305+P351+P338
[Hazard Codes ]

F,Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
R11:Highly Flammable.
R10:Flammable.
[Safety Statements ]

S16:Keep away from sources of ignition-No smoking .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S37/39:Wear suitable gloves and eye/face protection .
[RIDADR ]

UN 1325 4.1/PG 2
[WGK Germany ]

3
[Hazard Note ]

Irritant
[HazardClass ]

4.1
[PackingGroup ]

II
[HS Code ]

29039990
[Storage Class]

4.1B - Flammable solid hazardous materials
[Hazard Classifications]

Eye Irrit. 2
Flam. Sol. 1
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ethanol-->Diethyl ether-->Potassium carbonate-->Potassium hydroxide-->Phosphorus pentachloride-->4-Fluoroacetophenone
[Preparation Products]

4-Fluorostyrene-->1,3,5-tris(4-fluorophenyl)benzene-->4,4'-Difluorodiphenylacetylene-->3,6-Dimethoxyxanthone-->2-(4-fluorophenyl)-1-(piperidin-1-yl)ethanone
Hazard InformationBack Directory
[Chemical Properties]

White Crystalline Solid
[Uses]

Intermediates of Liquid Crystals
[Synthesis Reference(s)]

Synthesis, p. 589, 1996 DOI: 10.1055/s-1996-4265
[General Description]

1-Ethynyl-4-fluorobenzene (pFAB) is a fluorobenzene derivative. Trianionic pincer alkylidyne complex catalyzed polymerization of 1-ethynyl-4-fluorobenzene has been reported. The surface of the iodophenyl-terminated organic monolayers has been modified by Sonogashira coupling of the iodophenyl groups found on the surface with pFAB. Dimerization catalyzed by Y[N(TMS)2]3 and 4-chloroaniline gave exclusive formation of one of three possible enediynes in excellent yield.
Spectrum DetailBack Directory
[Spectrum Detail]

4-Fluorophenylacetylene(766-98-3)1HNMR
4-Fluorophenylacetylene(766-98-3)FT-IR
4-Fluorophenylacetylene(766-98-3)IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

1-Ethynyl-4-fluorobenzene, 98%(766-98-3)
[Alfa Aesar]

4-Fluorophenylacetylene, 99%(766-98-3)
[TCI AMERICA]

1-Ethynyl-4-fluorobenzene,>96.0%(GC)(766-98-3)
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