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873-73-4

873-73-4 Structure

873-73-4 Structure
IdentificationMore
[Name]

4-Chlorophenylacetylene
[CAS]

873-73-4
[Synonyms]

1-CHLORO-4-ETHYNYLBENZENE
1-CHLORO-4-PHENYLACETYLENE
4'-CHLOROPHENYL ACETYLENE
4-CHLOROPHENYLACETYLENE
(p-Chlorophenyl)acetylene
p-Ethynylchlorobenzene
Benzene, 1-chloro-4-ethynyl-(6CI, 7CI, 8CI, 9CI)
4-CHOROPHENYLACETYLENE
(4-Chlorophenyl)ethyne
1-(4-Chlorophenyl)ethyne
4-Ethynyl-1-chlorobenzene
[Molecular Formula]

C8H5Cl
[MDL Number]

MFCD00191917
[Molecular Weight]

136.58
[MOL File]

873-73-4.mol
Chemical PropertiesBack Directory
[Appearance]

White Crystalline Solid
[Melting point ]

45-47 °C(lit.)
[Boiling point ]

79-82 °C (23 mmHg)
[density ]

1.24 g/cm3(Temp: 50 °C)
[Fp ]

10 °C
[storage temp. ]

Keep Cold
[solubility ]

Acetone, Chloroform (Slightly), Dichloromethane, DMF, DMSO, Ethanol, Ethyl Acetate)
[form ]

Crystalline Mass
[color ]

Yellow to pale brown
[Water Solubility ]

Insoluble in water. Soluble in acetone, chloroform, dichloromethane, DMF, DMSO, ethanol, ethyl acetate, hexane, methanol,THF and toluene.
[Stability:]

Light Sensitive
[InChI]

InChI=1S/C8H5Cl/c1-2-7-3-5-8(9)6-4-7/h1,3-6H
[InChIKey]

LFZJRTMTKGYJRS-UHFFFAOYSA-N
[SMILES]

C1(Cl)=CC=C(C#C)C=C1
[CAS DataBase Reference]

873-73-4(CAS DataBase Reference)
[NIST Chemistry Reference]

Benzene, 1-chloro-4-ethynyl-(873-73-4)
Safety DataBack Directory
[Hazard Codes ]

F,Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
R11:Highly 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/Keep Cold
[HazardClass ]

4.1
[HazardClass ]

FLAMMABLE
[PackingGroup ]

[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
Hazard InformationBack Directory
[Chemical Properties]

White Crystalline Solid
[Uses]

4-Chlorophenylacetylene is used as pharmaceutical intermediate.
[Synthesis Reference(s)]

Synthesis, p. 728, 1984 DOI: 10.1055/s-1984-30947
[General Description]

1-Chloro-4-ethynylbenzene undergoes standard Sonogashira reaction with iodophenyl groups on the film surfaces via the formation of C?C bonds.
[Synthesis]

9.5 g (0.04 mol) of 4-chloroiodobenzene and 4.2 g (0.05 mol) of 3-methylbutynol, 0.3 g of diphenylphosphine palladium dichloride Pd[(C6H5)3P]2Cl2, and 100 ml of triethylamine were mixed, and the mixture was allowed to mix and stir under the protection

Spectrum DetailBack Directory
[Spectrum Detail]

4-Chlorophenylacetylene(873-73-4)1HNMR
4-Chlorophenylacetylene(873-73-4)FT-IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

1-Chloro-4-ethynylbenzene, 98%(873-73-4)
[Sigma Aldrich]

873-73-4(sigmaaldrich)
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