2,5-DIBROMO-3-DODECYLTHIOPHENE

This chemical is called Thiophene, 2,5-dibromo-3-dodecyl-, and its systematic name is 2,5-Dibromo-3-dodecylthiophene. With the CAS registry number of 148256-63-7, its product categories are Thiophenes; Organic Electronics and Photonics; Synthetic Tools and Reagents; Thiophene Monomers and Building Blocks. Additionally, this chemical should be sealed in the cool and dry plcace, away from oxides.

Other characteristics of the Thiophene, 2,5-dibromo-3-dodecyl- can be summarised as followings: (1)ACD/LogP: 9.86; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9.86; (4)ACD/LogD (pH 7.4): 9.86; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 5492402; (8)ACD/KOC (pH 7.4): 5492402; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 28.24 Ų; (13)Index of Refraction: 1.532; (14)Molar Refractivity: 95.89 cm³; (15)Molar Volume: 309.1 cm³; (16)Polarizability: 38.01×10^-24cm³; (17)Surface Tension: 37.6 dyne/cm; (18)Density: 1.326 g/cm³; (19)Flash Point: 199.9 °C; (20)Enthalpy of Vaporization: 63.32 kJ/mol; (21)Boiling Point: 407 °C at 760 mmHg; (22)Vapour Pressure: 1.84E-06 mmHg at 25 °C.

Production method of this chemical: The Thiophene, 2,5-dibromo-3-dodecyl- could be obtained by the reactant of 3-dodecylthiophene. This reaction needs the reagent of Br₂, and the solvent of CHCl₃. In addition, this reaction should be taken at the ambient temperature.

Uses of this chemical: The Thiophene, 2,5-dibromo-3-dodecyl- could react with 4'-ethynyl-[2,2';6',2'']terpyridine, and obtain the 2,5-bis(2,2':6',2''-terpyridin-4'-ylethynyl)-3-dodecylthiophene. This reaction needs the reagents of  i-Pr₂NH, CuI, and the solvent of tetrahydrofuran. The yield is 56 %. In addition, this reaction should be taken for 4 days at the temperature of 20 °C.

You can still convert the following datas into molecular structure:
1.SMILES: Brc1sc(Br)cc1CCCCCCCCCCCC
2.InChI: InChI=1/C16H26Br2S/c1-2-3-4-5-6-7-8-9-10-11-12-14-13-15(17)19-16(14)18/h13H,2-12H2,1H3
3.InChIKey: ZIZGNWAMVWNAJT-UHFFFAOYAS