Dibenzothiophene,2,8-dibromo- (31574-87-5)

R52/53:Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment. The CAS register number of 2,8-Dibromodibenzothiophene is 31574-87-5. It also can be called as dibenzo[b,d]thiophene, 2,8-dibromo- and the systematic name about this chemical is 2,8-dibromodibenzo[b,d]thiophene. Its molecular formula is C₁₂H₆Br₂S and molecular weight is 342.05.

Physical properties about 2,8-Dibromodibenzothiophene are: (1)ACD/LogP: 5.92; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.92; (4)ACD/LogD (pH 7.4): 5.92; (5)ACD/BCF (pH 5.5): 18698.5; (6)ACD/BCF (pH 7.4): 18698.5; (7)ACD/KOC (pH 5.5): 39750.78; (8)ACD/KOC (pH 7.4): 39750.78; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 28.24Ų; (13)Index of Refraction: 1.785; (14)Molar Refractivity: 75.7 cm³; (15)Molar Volume: 179.5 cm³; (16)Surface Tension: 59.7 dyne/cm; (17)Density: 1.905 g/cm³; (18)Flash Point: 217.8 °C; (19)Enthalpy of Vaporization: 66.63 kJ/mol; (20)Boiling Point: 436.5 °C at 760 mmHg; (21)Vapour Pressure: 2.05E-07 mmHg at 25°C.

Uses of 2,8-Dibromodibenzothiophene: It reacts with N,N-diphenyl-4-aminophenylboronic acid to get N,N-diphenyl-4-{8-[4-(diphenylamino)phenyl]dibenzo[b,d]thiophen-2-yl}aniline and (4-dibenzothiophen-2-yl-phenyl)-diphenyl-amine. This reaction needs solvent toluene. The reaction time is 2 days. The yield is 42 %.




When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation. People do not breathe dust. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. People must wear suitable protective clothing.

People can use the following data to convert to the molecule structure.
1.SMILES: Brc2cc1c3cc(Br)ccc3sc1cc2
2.InChI:InChI=1/C12H6Br2S/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11/h1-6H
3.InChIKey:WNEXSUAHKVAPFK-UHFFFAOYAF
4.Std. InChI:InChI=1S/C12H6Br2S/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11/h1-6H