The Benzene,1-bromo-4-ethynyl-, with CAS registry number 766-96-1, belongs to the following product categories: (1)Aromatic Halides (substituted); (2)pharmacetical; (3)Aromatics Compounds; (4)Aromatics; (5)Alkynyl; (6)Halogenated Hydrocarbons; (7)Organic Building Blocks. It has the systematic name of 1-bromo-4-ethynylbenzene. This chemical is a kind of off-white solid.

Physical properties of Benzene,1-bromo-4-ethynyl-: (1)ACD/LogP: 3.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.17; (4)ACD/LogD (pH 7.4): 3.17; (5)ACD/BCF (pH 5.5): 151.53; (6)ACD/BCF (pH 7.4): 151.53; (7)ACD/KOC (pH 5.5): 1265.94; (8)ACD/KOC (pH 7.4): 1265.94; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.604; (14)Molar Refractivity: 41.53 cm³; (15)Molar Volume: 120.6 cm³; (16)Polarizability: 16.46×10^-24cm³; (17)Surface Tension: 46 dyne/cm; (18)Enthalpy of Vaporization: 41.76 kJ/mol; (19)Vapour Pressure: 0.488 mmHg at 25°C.

Preparation: this chemical can be prepared by 1-bromo-4-(1,1-dichloro-ethyl)-benzene. This reaction will need reagent KOH and solvent ethanol. The yield is about 45%.

Uses of p-Chloropropiophenone: it can be used to produce C₈H₅B_r4P. This reaction will need reagent PBr₃. The yield is about 96%.

When you are using this chemical, please be cautious about it as the following:
The Benzene,1-bromo-4-ethynyl- is harmful if swallowed. And this chemical is toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment, so avoid release to the environment. Refer to special instructions / safety data sheets.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccc(C#C)cc1
(2)InChI: InChI=1/C8H5Br/c1-2-7-3-5-8(9)6-4-7/h1,3-6H
(3)InChIKey: LTLVZQZDXQWLHU-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C8H5Br/c1-2-7-3-5-8(9)6-4-7/h1,3-6H
(5)Std. InChIKey: LTLVZQZDXQWLHU-UHFFFAOYSA-N