2-(4-BROMOPHENYL)THIOPHENE

The CAS register number of Thiophene,2-(4-bromophenyl)- is 40133-22-0. It also can be called as p-Bromophenyl thiol and the systematic name about this chemical is 2-(4-bromophenyl)thiophene. The molecular formula about this chemical is C₁₀H₇BrS and the molecular weight is 239.13. It belongs to the following product categories which include Halogenated Heterocycles; Heterocyclic Building Blocks; Thiophenes; ThiophenesBuilding Blocks and so on.

Physical properties about Thiophene,2-(4-bromophenyl)- are: (1)ACD/LogP: 4.69; (2)ACD/LogD (pH 5.5): 4.68; (3)ACD/LogD (pH 7.4): 4.68; (4)ACD/BCF (pH 5.5): 2139.32; (5)ACD/BCF (pH 7.4): 2139.32; (6)ACD/KOC (pH 5.5): 8421.86; (7)ACD/KOC (pH 7.4): 8421.86 ; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 28.24Ų; (10)Index of Refraction: 1.628; (11)Molar Refractivity: 56.91 cm³; (12)Molar Volume: 160.3 cm³; (13)Polarizability: 22.56x10^-24cm³; (14)Surface Tension: 44.5 dyne/cm; (15)Enthalpy of Vaporization: 52.57 kJ/mol; (16)Boiling Point: 307 °C at 760 mmHg; (17)Vapour Pressure: 0.00135 mmHg at 25°C.

Preparation: this chemical can be prepared by thiophene and 4-bromo-benzenediazonium; tetrafluoroborate at ambient temperature. This reaction will need reagent KOAc and catalyst 18-crown-6. The reaction time is 90 min. The yield is about 56%.

Uses of Thiophene,2-(4-bromophenyl)-: it can be used to produce 5,5'-bis-(4-bromo-phenyl)-[2,3']bithiophenyl t temperature of 130 - 135 ℃. This reaction will need reagent Amberlite CG-120 (H(1+) form) with reaction time of 30 hours. The yield is about 50%.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc2ccc(c1sccc1)cc2
(2)InChI: InChI=1/C10H7BrS/c11-9-5-3-8(4-6-9)10-2-1-7-12-10/h1-7H
(3)InChIKey: XKOJJKOSNQXQGP-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C10H7BrS/c11-9-5-3-8(4-6-9)10-2-1-7-12-10/h1-7H
(5)Std. InChIKey: XKOJJKOSNQXQGP-UHFFFAOYSA-N