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Name |
3-Pyridinemethanol,5-fluoro- |
EINECS | N/A |
CAS No. | 22620-32-2 | Density | 1.262 g/cm3 |
PSA | 33.12000 | LogP | 0.71300 |
Solubility | N/A | Melting Point |
N/A |
Formula | C6H6FNO | Boiling Point | 214.9 °C at 760 mmHg |
Molecular Weight | 127.12 | Flash Point | 83.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 7/8-26-36/37/39-45 | Risk Codes | 20/21/22-33-37/38 |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3-Pyridinemethanol,5-fluoro-(8CI,9CI); |
Article Data | 9 |
The 3-Pyridinemethanol,5-fluoro-, with the CAS registry number of 22620-32-2, is also known as 3-Pyridinemethanol,5-fluoro-(8CI,9CI). It belongs to the product category of Pyridine. This chemical's molecular formula is C6H6FNO and molecular weight is 127.12. What's more, its IUPAC name is (5-Fluoropyridin-3-yl)methanol. This chemical's classification code is Drug / Therapeutic Agent.
Physical properties about the 3-Pyridinemethanol,5-fluoro- are: (1)ACD/LogP: -0.42; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 22.12 Å2; (7)Index of Refraction: 1.523; (8)Molar Refractivity: 30.78 cm3; (9)Molar Volume: 100.6 cm3; (10)Surface Tension: 45.9 dyne/cm; (11)Density: 1.262 g/cm3; (12)Flash Point: 83.8 °C; (13)Enthalpy of Vaporization: 47.7 kJ/mol; (14)Boiling Point: 214.9 °C at 760 mmHg; (15)Vapour Pressure: 0.0894 mmHg at 25 °C.
Preparation: this chemical is prepared by 5-Fluoro-nicotinic acid methyl ester. The reaction needs reagent LAH and solvent Diethyl ether. The reaction time is 30 min with reaction temperature of -78 °C. The yield is about 70 %.
You can still convert the following datas into molecular structure:
(1) SMILES: Fc1cc(cnc1)CO
(2) InChI: InChI=1/C6H6FNO/c7-6-1-5(4-9)2-8-3-6/h1-3,9H,4H2
(3) InChIKey: GGGJYJXAFSEWNM-UHFFFAOYAG
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 2gm/kg (2000mg/kg) | United States Patent Document. Vol. #3737542, |