The Benzene,1-chloro-4-ethynyl-, with the CAS registry number 873-73-4, is also known as 4-Chloroethynylbenzene. It belongs to the product categories of Pharmacetical; Aromatics Compounds; Aromatics. This chemical's molecular formula is C₈H₅Cl and formula weight is 136.58. What's more, its IUPAC name is 1-chloro-4-ethynylbenzene.

Physical properties of Benzene,1-chloro-4-ethynyl- are: (1)ACD/LogP: 3.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.159; (4)ACD/BCF (pH 5.5): 148.13; (5)ACD/KOC (pH 5.5): 1245.531; (6)Index of Refraction: 1.564; (7)Molar Refractivity: 38.641 cm³; (8)Molar Volume: 118.74 cm³; (9)Surface Tension: 40.901 dyne/cm; (10)Density: 1.15 g/cm³; (11)Flash Point: 57.35 °C; (12)Enthalpy of Vaporization: 39.777 kJ/mol; (13)Boiling Point: 178.495 °C at 760 mmHg; (14)Vapour Pressure: 1.333 mmHg at 25°C.

Preparation: this chemical can be prepared by 3-(4-chloro-phenyl)-prop-2-yn-1-ol at the temperature of 20°C. This reaction will need reagent MnO₂, KOH powder and solvent benzene with the reaction time of 20 min. The yield is about 91%.

Uses of Benzene,1-chloro-4-ethynyl-: it can be used to produce 4-(4-chloro-phenylethynyl)-benzoic acid methyl ester at the temperature of -20°C. It will need reagent CuI, n-Bu₄NI, (i-Pr)₂NEt, tris(2,4,6-trimethylphenyl)phosphine and solvent dimethylformamide with the reaction time of 20 min. It need catalyst Pd₂(dba)₃·CHCl₃. The yield is about 93%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. It is highly flammable, so just keep it away from sources of ignition - No smoking. In case of contact with eyes, you need rinse immediately with plenty of water and seek medical advice. When using it, you should wear suitable protective clothing and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: C#Cc1ccc(cc1)Cl
(2)InChI: InChI=1S/C8H5Cl/c1-2-7-3-5-8(9)6-4-7/h1,3-6H
(3)InChIKey: LFZJRTMTKGYJRS-UHFFFAOYSA-N