5-Isoxazolemethanol,3-(4-fluorophenyl)- supplier

Name
[3-(4-FLUORO-PHENYL)-ISOXAZOL-5-YL]-METHANOL
EINECS
CAS No. 206055-89-2
Article Data15
CAS DataBase
Density 1.299 g/cm³
Solubility
Melting Point
Formula C₁₀H₈FNO₂
Boiling Point 358.46 °C at 760 mmHg
Molecular Weight 193.177
Flash Point 170.591 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms [3-(4-Fluorophenyl)isoxazol-5-yl]methanol;
PSA 46.26000
LogP 1.97300

5-Isoxazolemethanol,3-(4-fluorophenyl)- Specification

The CAS registry number of 5-Isoxazolemethanol,3-(4-fluorophenyl)- is 206055-89-2. The IUPAC name is 1-(3-bromoisoxazol-5-yl)methanamine. In addition, the formula is C₁₀H₈FNO₂ and the molecular weight is 193.1744. It has irritant.

Physical properties about 5-Isoxazolemethanol,3-(4-fluorophenyl)- are: (1)ACD/LogP: 2.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 72; (6)ACD/BCF (pH 7.4): 72; (7)ACD/KOC (pH 5.5): 741; (8)ACD/KOC (pH 7.4): 741; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 46.26 Å²; (13)Index of Refraction: 1.554; (14)Molar Refractivity: 47.681 cm³; (15)Molar Volume: 148.763 cm³; (16)Polarizability: 18.902 ×10^-24cm³; (17)Surface Tension: 46.959 dyne/cm; (18)Density: 1.299 g/cm³; (19)Flash Point: 170.591 °C; (20)Enthalpy of Vaporization: 63.727 kJ/mol; (21)Boiling Point: 358.46 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(ccc1c2cc(on2)CO)F
(2)InChI: InChI=1/C10H8FNO2/c11-8-3-1-7(2-4-8)10-5-9(6-13)14-12-10/h1-5,13H,6H2
(3)InChIKey: AXHZYGAOISWOLE-UHFFFAOYAN

Product Name

[3-(4-FLUORO-PHENYL)-ISOXAZOL-5-YL]-METHANOL

5-Isoxazolemethanol,3-(4-fluorophenyl)- Specification

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