-
Name
3-Pyridinemethanol,5-fluoro-(8CI,9CI)
- EINECS
- CAS No. 22620-32-2
- Article Data9
- CAS DataBase
- Density 1.262 g/cm3
- Solubility
- Melting Point
- Formula C6H6FNO
- Boiling Point 214.9 °C at 760 mmHg
- Molecular Weight 127.12
- Flash Point 83.8 °C
- Transport Information
- Appearance
- Safety 7/8-26-36/37/39-45
- Risk Codes 20/21/22-33-37/38
-
Molecular Structure
- Hazard Symbols
- Synonyms 3-Pyridinemethanol,5-fluoro-(8CI,9CI);
- PSA 33.12000
- LogP 0.71300
3-Pyridinemethanol,5-fluoro- Specification
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 %.
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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, |
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