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Name |
3,3'-Dibromo-2,2'-bithiophene |
EINECS | 663-413-0 |
CAS No. | 51751-44-1 | Density | 1.951 g/cm3 |
PSA | 56.48000 | LogP | 5.00160 |
Solubility | N/A | Melting Point |
103 °C |
Formula | C8H4Br2S2 | Boiling Point | 318.6 °C at 760 mmHg |
Molecular Weight | 324.06 | Flash Point | 146.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-39 | Risk Codes | 25-41 |
Molecular Structure | Hazard Symbols | T | |
Synonyms |
2,2'-Bithiophene, 3,3'-dibromo-; |
Article Data | 69 |
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