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CAS No.: | 125143-53-5 |
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Name: | 3,3',5,5'-Tetrabromo-2,2'-bithiophene |
Article Data: | 42 |
Molecular Structure: | |
Formula: | C8H2Br4S2 |
Molecular Weight: | 481.852 |
Synonyms: | 3,5-dibromo-2-(3,5-dibromo-2-thienyl)thiophene; |
Density: | 2.428g/cm3 |
Melting Point: | 138.0 to 144.0 °C |
Boiling Point: | 371 °C at 760 mmHg |
Flash Point: | 178.2 °C |
Hazard Symbols: | Xi |
Risk Codes: | 41 |
Safety: | 26-36 |
PSA: | 56.48000 |
LogP: | 6.52660 |
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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