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CAS No.: | 38749-90-5 |
---|---|
Name: | Pyridine, 5-bromo-2-ethyl- |
Article Data: | 15 |
Molecular Structure: | |
Formula: | C7H8BrN |
Molecular Weight: | 186.051 |
Synonyms: | 5-bromo-2-ethyl-pyridine |
Density: | 1.413 g/cm3 |
Boiling Point: | 201.122 °C at 760 mmHg |
Flash Point: | 75.436 °C |
PSA: | 12.89000 |
LogP: | 2.40650 |
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This chemical is called 5-Bromo-2-ethylpyridine, and it can also be named as pyridine, 5-bromo-2-ethyl-. With the molecular formula of C7H8BrN, its molecular weight is 186.05. The CAS registry number of this chemical is 38749-90-5.
Other characteristics of the 5-Bromo-2-ethylpyridine can be summarised as followings: (1)ACD/LogP: 2.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 71; (6)ACD/BCF (pH 7.4): 71; (7)ACD/KOC (pH 5.5): 731; (8)ACD/KOC (pH 7.4): 739; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 12.89 Å2; (13)Index of Refraction: 1.544; (14)Molar Refractivity: 41.584 cm3; (15)Molar Volume: 131.659 cm3; (16)Polarizability: 16.485×10-24cm3; (17)Surface Tension: 38.762 dyne/cm; (18)Density: 1.413 g/cm3; (19)Flash Point: 75.436 °C; (20)Enthalpy of Vaporization: 41.946 kJ/mol; (21)Boiling Point: 201.122 °C at 760 mmHg; (22)Vapour Pressure: 0.444 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Brc1cnc(CC)cc1
2.InChI: InChI=1/C7H8BrN/c1-2-7-4-3-6(8)5-9-7/h3-5H,2H2,1H3
3.InChIKey: JFTFIPSATYUJLB-UHFFFAOYAE