1,3-DIFLUOROPROPANE

The Propane, 1,3-difluoro- has CAS registry number 462-39-5. This chemical's molecular formula is C₃H₆F₂ and molecular weight is 80.08. What's more, its systematic name is 1,3-difluoropropane.

Physical properties of Propane, 1,3-difluoro- are: (1)ACD/LogP: 0.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.88; (4)ACD/LogD (pH 7.4): 0.88; (5)ACD/BCF (pH 5.5): 2.75; (6)ACD/BCF (pH 7.4): 2.75; (7)ACD/KOC (pH 5.5): 71.73; (8)ACD/KOC (pH 7.4): 71.73; (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: 1.292; (14)Molar Refractivity: 16.27 cm³; (15)Molar Volume: 88.9 cm³; (16)Polarizability: 6.45×10^-24cm³; (17)Surface Tension: 13.5 dyne/cm; (18)Density: 0.9 g/cm³; (19)Enthalpy of Vaporization: 27.92 kJ/mol; (20)Boiling Point: 47.6 °C at 760 mmHg; (21)Vapour Pressure: 335 mmHg at 25°C.

Preparation: this chemical can be prepared by propane-1,3-diol. This reaction will need reagent DAST and solvent 1,2-dimethoxy-ethane with the reaction time of 30min. The yield is about 35%.

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 highly flammable. It should be kept away from sources of ignition - No smoking. What's more, you should not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer). At last, you should take precautionary measures against static discharges.

You can still convert the following datas into molecular structure:
(1)SMILES: FCCCF
(2)Std. InChI: InChI=1S/C3H6F2/c4-2-1-3-5/h1-3H2
(3)Std. InChIKey: OOLOYCGJRJFTPM-UHFFFAOYSA-N