Thiophene,2,5-dibromo-3-hexyl-

The 2,5-Dibromo-3-hexylthiophene with cas registry number of 116971-11-0 is a kind of light yellow to white crystal powder. It belongs to the following categories: Thiophenes; pharmacetical; API intermediates; Carbozale derivatives; Organic Electronics and Photonics; Synthetic Tools and Reagents; Thiophene Monomers and Building Blocks. Both its systematic name and IUPAC name are the same which is called 2,5-dibromo-3-hexylthiophene.

The physical properties about this chemical are: (1)ACD/LogP: 6.67; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.67; (4)ACD/LogD (pH 7.4): 6.67; (5)ACD/BCF (pH 5.5): 69046; (6)ACD/BCF (pH 7.4): 69046; (7)ACD/KOC (pH 5.5): 101259.54; (8)ACD/KOC (pH 7.4): 101259.54; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Index of Refraction: 1.561; (13)Molar Refractivity: 68.09 cm³; (14)Molar Volume: 210.1 cm³; (15)Surface Tension: 39.6 dyne/cm; (16)Density: 1.551 g/cm³; (17)Flash Point: 145.6 °C; (18)Enthalpy of Vaporization: 53.64 kJ/mol; (19)Boiling Point: 317.2 °C at 760 mmHg; (20)Vapour Pressure: 0.000726 mmHg at 25°C ; (21)Refractive index: 1.557.

Preparation: this chemical can be made by 3-hexyl-thiophene with reagents Br₂ and solvent
CHCl₃ at ambient temperature.

Uses of 2,5-Dibromo-3-hexylthiophene: it can react with ethynyl-trimethyl-silane to produce (5-bromo-4-hexyl-thiophen-2-ylethynyl)-trimethyl-silane by using reagents [PdCl₂(PPh₃)₂], CuI and various solvents at temperature of 20 ℃.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1sc(Br)cc1CCCCCC;
(2)InChI: InChI=1/C10H14Br2S/c1-2-3-4-5-6-8-7-9(11)13-10(8)12/h7H,2-6H2,1H3;
(3)InChIKey: NSYFIAVPXHGRSH-UHFFFAOYAL