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| CAS No.: | 359-01-3 |
|---|---|
| Name: | 2-FLUOROBUTANE |
| Molecular Structure: | |
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| Formula: | C4H9F |
| Molecular Weight: | 76.1139 |
| Synonyms: | 2-Fluorobutane;sec-Butyl fluoride; |
| Density: | 0.758 g/cm3 |
| Melting Point: | -121.4°C |
| Boiling Point: | 25.1 °C at 760 mmHg |
| PSA: | 0.00000 |
| LogP: | 1.75440 |
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Specification
The Butane, 2-fluoro-(6CI,7CI,8CI,9CI), with the CAS registry number 359-01-3, is also known as sec-Butyl fluoride. This chemical's molecular formula is C4H9F and molecular weight is 76.1127. What's more, both its IUPAC name and systematic name are the same which is called 2-Fluorobutane.
Physical properties about Butane, 2-fluoro-(6CI,7CI,8CI,9CI) are: (1)ACD/LogP: 1.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.92; (4)ACD/LogD (pH 7.4): 1.92; (5)ACD/BCF (pH 5.5): 16.95; (6)ACD/BCF (pH 7.4): 16.95; (7)ACD/KOC (pH 5.5): 263.96; (8)ACD/KOC (pH 7.4): 263.96; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.333; (14)Molar Refractivity: 20.7 cm3; (15)Molar Volume: 100.3 cm3; (16)Polarizability: 8.2×10-24 cm3; (17)Surface Tension: 15.1 dyne/cm; (18)Density: 0.758 g/cm3; (19)Enthalpy of Vaporization: 26.01 kJ/mol; (20)Boiling Point: 25.1 °C at 760 mmHg; (21)Vapour Pressure: 757 mmHg at 25 °C.
Preparation of Butane, 2-fluoro-(6CI,7CI,8CI,9CI): this chemical can be prepared by Butyl-(2-chloro-1,1,2-trifluoro-ethyl)-ether. This reaction needs reagent AlCl3 at temperature of 100 °C. The reaction time is 8.25 hours. The yield is 30.5 %.
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You can still convert the following datas into molecular structure:
(1) SMILES: FC(C)CC
(2) InChI: InChI=1/C4H9F/c1-3-4(2)5/h4H,3H2,1-2H3
(3) InChIKey: IXHWZHXLJJPXIS-UHFFFAOYAN