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Name |
2,2'-Bithiophene,5-bromo- |
EINECS | N/A |
CAS No. | 3480-11-3 | Density | 1.635 g/cm3 |
PSA | 56.48000 | LogP | 4.23910 |
Solubility | N/A | Melting Point |
29-32 °C(lit.) |
Formula | C8H5BrS2 | Boiling Point | 286 °C at 760 mmHg |
Molecular Weight | 245.164 | Flash Point | 126.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
5-Bromo-2,2'-bithienyl;5-Bromo-2,2'-bithiophene;5-Bromo-2,2'-dithiophene;5-Bromo-a-dithienyl; |
Article Data | 3 |
This chemical is called 2,2'-Bithiophene,5-bromo-, and its systematic name is 5-bromo-2,2'-bithiophene. With the molecular formula of C8H5BrS2, its molecular weight is 245.16. The CAS registry number of the chemical is 3480-11-3. Additionally, its product categories are Halogenated Heterocycles; Heterocyclic Building Blocks; Thiophenes; ThiophenesBuilding Blocks. In addition, this chemical should be sealed in the cool and dry place.
Other characteristics of 2,2'-Bithiophene,5-bromo- can be summarised as followings: (1)ACD/LogP: 4.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.34; (4)ACD/LogD (pH 7.4): 4.34; (5)ACD/BCF (pH 5.5): 1176.93; (6)ACD/BCF (pH 7.4): 1176.93; (7)ACD/KOC (pH 5.5): 5490.89; (8)ACD/KOC (pH 7.4): 5490.89; (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: 1.659; (14)Molar Refractivity: 55.3 cm3; (15)Molar Volume: 149.8 cm3; (16)Polarizability: 21.92×10-24cm3; (17)Surface Tension: 49.4 dyne/cm; (18)Density: 1.635 g/cm3; (19)Flash Point: 126.7 °C; (20)Enthalpy of Vaporization: 50.4 kJ/mol; (21)Boiling Point: 286 °C at 760 mmHg; (22)Vapour Pressure: 0.00468 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Brc2sc(c1sccc1)cc2
2.InChI: InChI=1/C8H5BrS2/c9-8-4-3-7(11-8)6-2-1-5-10-6/h1-5H
3.InChIKey: OMOAIGVIYUXYAU-UHFFFAOYAH
4.Std. InChI: InChI=1S/C8H5BrS2/c9-8-4-3-7(11-8)6-2-1-5-10-6/h1-5H
5.Std. InChIKey: OMOAIGVIYUXYAU-UHFFFAOYSA-N