5-Bromo-2,2'-bithiophene-5'-carboxaldehyde

This chemical is called [2,2'-Bithiophene]-5-carboxaldehyde,5'-bromo-, and it can also be named as 5'-Bromo-[2,2']bithiophene-5-carboxaldehyde. With the molecular formula of C₉H₅BrOS₂, its molecular weight is 273.17. The CAS registry number of this chemical is 110046-60-1, and its product categories are Functional Materials; Reagents for Conducting Polymer Research; Thiophene Derivatives (for Conduting Polymer Research). Additionally, its systematic name is 5'-Bromo-2,2'-bithiophene-5-carbaldehyde. 

Other characteristics of the [2,2'-Bithiophene]-5-carboxaldehyde,5'-bromo- can be summarised as followings: (1)ACD/LogP: 3.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 415; (6)ACD/BCF (pH 7.4): 415; (7)ACD/KOC (pH 5.5): 2602; (8)ACD/KOC (pH 7.4): 2602; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 73.55 Ų; (13)Index of Refraction: 1.695; (14)Molar Refractivity: 62.056 cm³; (15)Molar Volume: 161.528 cm³; (16)Polarizability: 24.601×10^-24 cm³; (17)Surface Tension: 56.322 dyne/cm; (18)Density: 1.691 g/cm³; (19)Flash Point: 176.808 °C; (20)Enthalpy of Vaporization: 61.543 kJ/mol; (21)Boiling Point: 368.739 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Production method of this chemical: The [2,2'-Bithiophene]-5-carboxaldehyde,5'-bromo- could be obtained by the reactant of [2,2']Bithiophenyl-5-carbaldehyde. This reaction needs the reagents of Br₂ and NaHCO₃, and the solvent of CHCl₃. The yield is 95 %. In addition, this reaction should be taken for 4 hours. The other condition is heating.



Uses of this chemical: The (5'-Bromo-[2,2']bithiophenyl-5-yl)-methanol could be obtained by the reactant of [2,2'-Bithiophene]-5-carboxaldehyde,5'-bromo-. This reaction needs the reagent of NaBH₄, and the solvents of methanol and dioxane. The yield is 91 %. This reaction should be taken for 1 hour at the temperature of 0 °C.



You can still convert the following datas into molecular structure:
1.SMILES: Brc1ccc(s1)c2sc(C=O)cc2
2.InChI: InChI=1/C9H5BrOS2/c10-9-4-3-8(13-9)7-2-1-6(5-11)12-7/h1-5H
3.InChIKey: NTHMTYNJFSUBMF-UHFFFAOYAW