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| CAS No.: | 460-13-9 |
|---|---|
| Name: | 1-FLUOROPROPANE |
| Molecular Structure: | |
|
|
|
| Formula: | C3H7F |
| Molecular Weight: | 62.087 |
| Synonyms: | n-Propyl fluoride;1-Fluoropropane; |
| Density: | 0.743 g/cm3 |
| Melting Point: | -159°C |
| Boiling Point: | -2,5°C |
| Hazard Symbols: |
 F
|
| Risk Codes: | 12 |
| Safety: | 9-16-23-33 |
| PSA: | 0.00000 |
| LogP: | 1.36590 |
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Specification
The Propane, 1-fluoro-, with the CAS registry number 460-13-9, is also known as n-Propyl fluoride. This chemical's molecular formula is C3H7F and molecular weight is 62.09. What's more, its systematic name is 1-fluoropropane.
Physical properties of Propane, 1-fluoro- are: (1)ACD/LogP: 1.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.57; (4)ACD/LogD (pH 7.4): 1.57; (5)ACD/BCF (pH 5.5): 9.23; (6)ACD/BCF (pH 7.4): 9.23; (7)ACD/KOC (pH 5.5): 170.82; (8)ACD/KOC (pH 7.4): 170.82; (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: 1.31; (14)Molar Refractivity: 16.11 cm3; (15)Molar Volume: 83.5 cm3; (16)Polarizability: 6.38×10-24cm3; (17)Surface Tension: 13.8 dyne/cm; (18)Density: 0.743 g/cm3; (19)Enthalpy of Vaporization: 23.88 kJ/mol; (20)Vapour Pressure: 1830 mmHg at 25°C.
Preparation: this chemical can be prepared by cyclopropane at the ambient temperature. This reaction will need reagents KHF2, SiF4 with the reaction time of 16 hours. The yield is about 95%.
When you are using this chemical, please be cautious about it as the following:
This chemical may catch fire in contact with air, only need brief contact with an ignition source. It has a very low flash point or evolves highly flammable gases in contact with water. The product is extremely flammable. You should keep container in a well-ventilated place and away from sources of ignition - No smoking. What's more, do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer). You should take precautionary measures against static discharges.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)C2=C(NC3=CC=CC=C32)C4=CC=CC=C4
(2)InChI: InChI=1S/C20H15N/c1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)21-20(19)16-11-5-2-6-12-16/h1-14,21H
(3)InChIKey: GYGKJNGSQQORRG-UHFFFAOYSA-N