3-FLUOROPROPAN-1-OL

The Propanol, 3-fluoro-, with the CAS registry number 462-43-1, is also known as 3-Hydroxypropyl fluoride. This chemical's molecular formula is C₃H₇FO and molecular weight is 78.09. What's more, its systematic name is 3-fluoropropan-1-ol.

Physical properties of Propanol, 3-fluoro- are: (1)ACD/LogP: 1.20; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 6; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 75.36 Å²; (11)Index of Refraction: 1.681; (12)Molar Refractivity: 43.96 cm³; (13)Molar Volume: 116 cm³; (14)Polarizability: 17.42×10^-24cm³; (15)Surface Tension: 83.3 dyne/cm; (16)Density: 1.568 g/cm³; (17)Flash Point: 220.4 °C; (18)Enthalpy of Vaporization: 73.57 kJ/mol; (19)Boiling Point: 440.9 °C at 760 mmHg; (20)Vapour Pressure: 1.5E-08 mmHg at 25°C.

Preparation: this chemical can be prepared by C₂₆H₂₄NO(1+)*F(1-) at the temperature of 60 °C. The yield is about 37%.

Uses of Propanol, 3-fluoro-: it can be used to produce toluene-4-sulfonic acid-(3-fluoro-propyl ester) at the ambient temperature. It will need reagent triethylamine and solvent tetrahydrofuran. The yield is about 100%.

When you are using this chemical, please be cautious about it as the following:
It is flammable, so you should keep it away from sources of ignition - No smoking. When using it, you need wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1S/C3H7FO/c4-2-1-3-5/h5H,1-3H2
(2)InChIKey: NLRJUIXKEMCEOH-UHFFFAOYSA-N
(3)Canonical SMILES: C(CO)CF

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
guinea pig	LCLo	inhalation	350mg/m3/10M (350mg/m3)		National Defense Research Committee, Office of Scientific Research and Development, Progress Report.Vol. 30101, Pg. 4, 1945.
mouse	LD50	intraperitoneal	47mg/kg (47mg/kg)		Journal of Organic Chemistry. Vol. 21, Pg. 739, 1956.