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CAS No.: | 2366-52-1 |
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Name: | 1-FLUOROBUTANE |
Article Data: | 27 |
Molecular Structure: | |
Formula: | C4H9F |
Molecular Weight: | 76.1139 |
Synonyms: | 1-Fluoro-butan; |
EINECS: | 219-123-8 |
Density: | 0.761 g/cm3 |
Melting Point: | -134°C |
Boiling Point: | 32.8 °C at 760 mmHg |
Hazard Symbols: | F |
Risk Codes: | 10 |
Safety: | 16 |
PSA: | 0.00000 |
LogP: | 1.75600 |
The Butane, 1-fluoro-, with the CAS registry number of 2366-52-1, is also known as 1-Fluoro-butan. Its EINECS registry number is 219-123-8. This chemical's molecular formula is C4H9F and molecular weight is 76.11. What's more, its IUPAC name is 1-Fluorobutane.
Physical properties about the Butane, 1-fluoro- are: (1)ACD/LogP: 2.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.1; (4)ACD/LogD (pH 7.4): 2.1; (5)ACD/BCF (pH 5.5): 23.39; (6)ACD/BCF (pH 7.4): 23.39; (7)ACD/KOC (pH 5.5): 332.36; (8)ACD/KOC (pH 7.4): 332.36; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.336; (14)Molar Refractivity: 20.74 cm3; (15)Molar Volume: 100 cm3; (16)Surface Tension: 16.2 dyne/cm; (17)Density: 0.761 g/cm3; (18)Enthalpy of Vaporization: 26.66 kJ/mol; (19)Boiling Point: 32.8 °C at 760 mmHg; (20)Vapour Pressure: 574 mmHg at 25 °C.
Preparation: this chemical is prepared by 1-Bromo-butane at heating. The reaction needs reagents Tetrabutylammonium bromide, CsF. The reaction time is 60 min. The yield is about 77 %.
When you are using this chemical, please be cautious about it as the following:
This chemical is highly flammable, and it may catch fire in contact with an ignition source. Hence, keep it away from sources of ignition.
You can still convert the following datas into molecular structure:
(1) SMILES: FCCCC
(2) InChI: InChI=1/C4H9F/c1-2-3-4-5/h2-4H2,1H3
(3) InChIKey: FCBJLBCGHCTPAQ-UHFFFAOYAT