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CAS No.: | 462-43-1 |
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Name: | 3-FLUOROPROPAN-1-OL |
Article Data: | 13 |
Molecular Structure: | |
Formula: | C3H7FO |
Molecular Weight: | 78.0864 |
Synonyms: | 3-Fluoro-1-propanol;omega-Fluoropropanol;3-Hydroxypropyl fluoride;1-Propanol, 3-fluoro-(6CI,8CI,9CI);TL 1510; |
Density: | 0.963 g/cm3 |
Boiling Point: | 127.8 °C at 760 mmHg |
Flash Point: | 38.5 °C |
Solubility: | 740 mg/mL in water |
Hazard Symbols: | F |
Risk Codes: | 10 |
Safety: | 16-36 |
PSA: | 20.23000 |
LogP: | 0.33830 |
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. |