-
Name
bis(4-bromophenyl) sulphide
- EINECS 222-240-7
- CAS No. 3393-78-0
- Article Data65
- CAS DataBase
- Density 1.8 g/cm3
- Solubility
- Melting Point 115℃
- Formula C12H8Br2S
- Boiling Point 411.3 °C at 760 mmHg
- Molecular Weight 344.07
- Flash Point 202.5 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Sulfide,bis(p-bromophenyl) (7CI,8CI);1,1'-Thiobis[4-bromobenzene];4,4'-Di(bromophenylsulfide);Bis(4-bromophenyl) sulfide;Bis(p-bromophenyl) sulfide;
- PSA 25.30000
- LogP 5.36280
Benzene,1,1'-thiobis[4-bromo- Specification
The CAS register number of Benzene,1,1'-thiobis[4-bromo- is 3393-78-0. It also can be called as 1,1'-Thiobis[4-bromobenzene] and the systematic name about this chemical is 1,1'-sulfanediylbis(4-bromobenzene). The molecular formula about this chemical is C12H8Br2S and the molecular weight is 344.06492.
Physical properties about Benzene,1,1'-thiobis[4-bromo- are: (1)ACD/LogP: 6.47; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.47; (4)ACD/LogD (pH 7.4): 6.47; (5)ACD/BCF (pH 5.5): 48955.95; (6)ACD/BCF (pH 7.4): 48955.95; (7)ACD/KOC (pH 5.5): 79167.11; (8)ACD/KOC (pH 7.4): 79167.11; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 25.3 Å2; (11)Index of Refraction: 1.715; (12)Molar Refractivity: 74.91 cm3; (13)Molar Volume: 190.5 cm3; (14)Polarizability: 29.69x10-24cm3; (15)Surface Tension: 60.7 dyne/cm; (16)Density: 1.8 g/cm3; (17)Flash Point: 202.5 °C; (18)Enthalpy of Vaporization: 63.79 kJ/mol; (19)Boiling Point: 411.3 °C at 760 mmHg; (20)Vapour Pressure: 1.35E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc2ccc(Sc1ccc(Br)cc1)cc2
(2)InChI: InChI=1/C12H8Br2S/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H
(3)InChIKey: CLPVCAXOQZIJGW-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C12H8Br2S/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H
(5)Std. InChIKey: CLPVCAXOQZIJGW-UHFFFAOYSA-N
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