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CAS No.: | 51751-44-1 |
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Name: | 3,3'-Dibromo-2,2'-bithiophene |
Article Data: | 69 |
Molecular Structure: | |
Formula: | C8H4Br2S2 |
Molecular Weight: | 324.06 |
Synonyms: | 2,2'-Bithiophene, 3,3'-dibromo-; |
EINECS: | 663-413-0 |
Density: | 1.951 g/cm3 |
Melting Point: | 103 °C |
Boiling Point: | 318.6 °C at 760 mmHg |
Flash Point: | 146.5 °C |
Hazard Symbols: | T |
Risk Codes: | 25-41 |
Safety: | 26-39 |
PSA: | 56.48000 |
LogP: | 5.00160 |
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The systematic name of 3,3'-Dibromo-2,2'-bithiophene is 3,3'-Dibromo-2,2'-bithiophene. With the CAS registry number 51751-44-1, it is also named as 2,2'-Bithiophene, 3,3'-dibromo-. In addition, its molecular formula is C8H4Br2S2 and its molecular weight is 324.05.
The other characteristics of 3,3'-Dibromo-2,2'-bithiophene can be summarized as: (1)ACD/LogP: 4.63; (2)# of Rule of 5 Violations: 0; (3)H bond acceptors: 0; (4)H bond donors: 0; (5)Freely Rotating Bonds: 1; (6)Polar Surface Area: 56.48 Å2; (7)Index of Refraction: 1.683; (8)Molar Refractivity: 62.99 cm3; (9)Molar Volume: 166 cm3; (10)Polarizability: 24.97×10-24cm3; (11)Surface Tension: 52.9 dyne/cm; (12)Density: 1.951 g/cm3; (13)Flash Point: 146.5 °C; (14)Melting Point: 103 °C; (15)Enthalpy of Vaporization: 53.79 kJ/mol; (16)Boiling Point: 318.6 °C at 760 mmHg; (17)Vapour Pressure: 0.000665 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES:Brc1c(scc1)c2sccc2Br
(2)InChI:InChI=1/C8H4Br2S2/c9-5-1-3-11-7(5)8-6(10)2-4-12-8/h1-4H
(3)InChIKey:KBRZCEVRNLKHAZ-UHFFFAOYAO
(4)Std. InChI:InChI=1S/C8H4Br2S2/c9-5-1-3-11-7(5)8-6(10)2-4-12-8/h1-4H
(5)Std. InChIKey:KBRZCEVRNLKHAZ-UHFFFAOYSA-N