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Chemical Product CAS:125143-53-53,3',5,5'-Tetrabromo-2,2'-bithiophene

CAS:125143-53-5
3,3',5,5'-Tetrabromo-2,2'-bithiophene

  • CAS No:

    125143-53-5
  • Name:

    3,3',5,5'-Tetrabromo-2,2'-bithiophene
  • Molecular Formula:

    C8H2Br4S2
  • Molecular Weight:

    481.85
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3,3',5,5'-Tetrabromo-2,2'-bithiophene ( CASNO:125143-53-5 )

Identification and Related Records
Name:
3,3',5,5'-Tetrabromo-2,2'-bithiophene
CAS Registry number:
125143-53-5
Synonyms:
3,5-dibromo-2-(3,5-dibromo-2-thienyl)thiophene
Molecular Formula:
C8H2Br4S2
Molecular Weight:
481.85
Inchi:
InChI=1/C8H2Br4S2/c9-3-1-5(11)13-7(3)8-4(10)2-6(12)14-8/h1-2H
Chemical and Physical Properties
Density:
2.428
Boiling Point:
371 °C at 760 mmHg
Vapour:
2.27E-05mmHg at 25°C
Refractive Index:
1.72
Flash Point:
371 °C at 760 mmHg
Safety and Handling
Specification:
  The 3,3',5,5'-Tetrabromo-2,2'-bithiophene with cas registry number of 125143-53-5, whose systematic name is 3,3',5,5'-tetrabromo-2,2'-bithiophene. And it is also named 3,5-dibromo-2-(3,5-dibromo-2-thienyl)thiophene. Physical properties about this chemical are: (1)ACD/LogP: 6.05; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.05; (4)ACD/LogD (pH 7.4): 6.05; (5)ACD/BCF (pH 5.5): 23348.45; (6)ACD/BCF (pH 7.4): 23348.45; (7)ACD/KOC (pH 5.5): 46599.86; (8)ACD/KOC (pH 7.4): 46599.86; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 56.48 Å2; (13)Index of Refraction: 1.72; (14)Molar Refractivity: 78.37 cm3; (15)Molar Volume: 198.4 cm3; (16)Polarizability: 31.06×10-24cm3; (17)Surface Tension: 58.5 dyne/cm; (18)Enthalpy of Vaporization: 59.37 kJ/mol; (19)Vapour Pressure: 2.27E-05 mmHg at 25°C. You can still convert the following datas into molecular structure: 
(1)SMILES:Brc1c(sc(Br)c1)c2sc(Br)cc2Br;
(2)InChI:InChI=1/C8H2Br4S2/c9-3-1-5(11)13-7(3)8-4(10)2-6(12)14-8/h1-2H;
(3)InChIKey:MOMHMPZSZNZLAK-UHFFFAOYAE;
(4)Std. InChI:InChI=1S/C8H2Br4S2/c9-3-1-5(11)13-7(3)8-4(10)2-6(12)14-8/h1-2H;
(5)Std. InChIKey:MOMHMPZSZNZLAK-UHFFFAOYSA-N
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