| Identification | More | [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 Properties | Back 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 Data | Back 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 ]
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 |
| Hazard Information | Back 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 |
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