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| CAS No.: | 17117-17-8 |
|---|---|
| Name: | 3-Bromo-5-ethoxypyridine |
| Article Data: | 7 |
| Molecular Structure: | |
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| Formula: | C7H8BrNO |
| Molecular Weight: | 202.051 |
| Synonyms: | 3-Bromo-5-ethoxypyridine;5-Bromo-3-ethoxypyridine;5-Ethoxy-3-bromopyridine; |
| Density: | 1.45 g/cm3 |
| Melting Point: | 9°C(lit.) |
| Boiling Point: | 230.214 °C at 760 mmHg |
| Flash Point: | 93.031 °C |
| PSA: | 22.12000 |
| LogP: | 2.24280 |
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Specification
This chemical is called Pyridine,3-bromo-5-ethoxy-, and it can also be named as 3-Bromo-5-ethoxypyridine. Its molecular formula is C7H8BrNO. The CAS registry number of this chemical is 17117-17-8. Additionally, this chemical should be stored at the room temperature.
Other characteristics of the Pyridine,3-bromo-5-ethoxy- can be summarised as follows: (1)ACD/LogP: 2.41; (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): 73; (6)ACD/BCF (pH 7.4): 73; (7)ACD/KOC (pH 5.5): 747; (8)ACD/KOC (pH 7.4): 748; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 22.12 Å2; (13)Index of Refraction: 1.534; (14)Molar Refractivity: 43.346 cm3; (15)Molar Volume: 139.351 cm3; (16)Polarizability: 17.184×10-24 cm3; (17)Surface Tension: 39.06 dyne/cm; (18)Density: 1.45 g/cm3; (19)Flash Point: 93.031 °C; (20)Enthalpy of Vaporization: 44.788 kJ/mol; (21)Boiling Point: 230.214 °C at 760 mmHg; (22)Vapour Pressure: 0.101 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Brc1cc(OCC)cnc1
2.InChI: InChI=1/C7H8BrNO/c1-2-10-7-3-6(8)4-9-5-7/h3-5H,2H2,1H3
3.InChIKey: FYUMRYNAZSTXJV-UHFFFAOYAR