| Identification | |
| Name: | Thiophene,2-bromo-3-octyl- |
| Synonyms: | 2-Bromo-3-n-octylthiophene; |
| CAS: | 145543-83-5 |
| Molecular Formula: | C12H19BrS |
| Molecular Weight: | 275.24826 |
| InChI: | InChI=1/C12H19BrS/c1-2-3-4-5-6-7-8-11-9-10-14-12(11)13/h9-10H,2-8H2,1H3 |
| Molecular Structure: |  |
| Properties | |
| Density: | 1.206 |
| Refractive index: | 1.521 |
| Specification: |
The CAS register number of 2-Bromo-3-octylthiophene is 145543-83-5. It also can be called as Thiophene,2-bromo-3-octyl- and the systematic name about this chemical is 2-bromo-3-octylthiophene. The molecular formula about this chemical is C12H19BrS and the molecular weight is 275.25. It belongs to the Thiophenes. Physical properties about 2-Bromo-3-octylthiophene are: (1)ACD/LogP: 6.87; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7; (4)ACD/LogD (pH 7.4): 7; (5)ACD/BCF (pH 5.5): 108376; (6)ACD/BCF (pH 7.4): 108376; (7)ACD/KOC (pH 5.5): 139824; (8)ACD/KOC (pH 7.4): 139824; (9)#Freely Rotating Bonds: 7; (10)Polar Surface Area: 28.24Å2; (11)Index of Refraction: 1.526; (12)Molar Refractivity: 69.674 cm3; (13)Molar Volume: 226.955 cm3; (14)Polarizability: 27.621x10-24cm3; (15)Surface Tension: 36.08 dyne/cm; (16)Enthalpy of Vaporization: 52.579 kJ/mol; (17)Boiling Point: 307.088 °C at 760 mmHg; (18)Vapour Pressure: 0.001 mmHg at 25°C. You can still convert the following datas into molecular structure: |
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