2,2'-Bithiophene,5-bromo- supplier

Name
5-BROMO-2 2'-BITHIOPHENE 96
EINECS
CAS No. 3480-11-3
Article Data3
CAS DataBase
Density 1.635 g/cm³
Solubility
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
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-Bromo-2,2'-bithienyl;5-Bromo-2,2'-bithiophene;5-Bromo-2,2'-dithiophene;5-Bromo-a-dithienyl;
PSA 56.48000
LogP 4.23910

2,2'-Bithiophene,5-bromo- Specification

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

Product Name

5-BROMO-2 2'-BITHIOPHENE 96

2,2'-Bithiophene,5-bromo- Specification

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