2-BROMO-5-PHENYLTHIOPHENE

The Thiophene,2-bromo-5-phenyl-, with the CAS registry number of 29488-24-2, is also known as 5-Bromo-2-phenylthiophene. This chemical's molecular formula is C₁₀H₇BrS and molecular weight is 239.13. What's more, its systematic name is 2-Bromo-5-phenylthiophene.

Physical properties about the Thiophene,2-bromo-5-phenyl- are: (1)ACD/LogP: 4.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.54; (4)ACD/LogD (pH 7.4): 4.54; (5)ACD/BCF (pH 5.5): 1656.49; (6)ACD/BCF (pH 7.4): 1656.49; (7)ACD/KOC (pH 5.5): 7012.83; (8)ACD/KOC (pH 7.4): 7012.83; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 28.24 Å²; (13)Index of Refraction: 1.628; (14)Molar Refractivity: 56.91 cm³; (15)Molar Volume: 160.3 cm³; (16)Surface Tension: 44.5 dyne/cm; (17)Density: 1.49 g/cm³; (18)Flash Point: 128.7 °C; (19)Enthalpy of Vaporization: 50.73 kJ/mol; (20)Boiling Point: 289.2 °C at 760 mmHg; (21)Vapour Pressure: 0.00387 mmHg at 25 °C.

Preparation: this chemical is prepared by 2-Phenyl-thiophene. The reaction needs reagent NBS and solvent CHCl₃. The reaction time is 16 h with reaction temperature of 50 °C. The yield is about 80 %.

Uses: it is used to produce other chemicals. For example, it is used to produce 5,5'-Diphenyl-[2,2']bithienyl. This reaction needs reagent Mg. Meanwhile, it needs solvent Diethyl ether. The yield is about 69 %.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is harmful by inhalation, in contact with skin and if swallowed. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. The dust of this chemical can not be breathed. Besides, it is irritating to eyes, respiratory system and skin. In addition, during using it, wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc2sc(c1ccccc1)cc2
(2) InChI: InChI=1/C10H7BrS/c11-10-7-6-9(12-10)8-4-2-1-3-5-8/h1-7H
(3) InChIKey: RVCTZBRMQZWVDA-UHFFFAOYAO