Isoxazole, 5-(4-fluorophenyl)- supplier

Name
5-(4-FLUOROPHENYL)ISOXAZOLE
EINECS
CAS No. 138716-37-7
Article Data8
CAS DataBase
Density 1.209 g/cm³
Solubility
Melting Point 53-56 °C
Formula C₉H₆FNO
Boiling Point 275.8 °C at 760 mmHg
Molecular Weight 163.151
Flash Point 120.6 °C
Transport Information
Appearance
Safety
Risk Codes Xi:Irritant;
Molecular Structure
Hazard Symbols Xi
Synonyms 5-(4-Fluorophenyl)-1,2-oxazole;
PSA 26.03000
LogP 2.48070

Isoxazole, 5-(4-fluorophenyl)- Specification

The Isoxazole, 5-(4-fluorophenyl)- has the CAS registry number 138716-37-7. It belongs to the product categories of Oxazole; Isoxazoles, Oxadiazoles, Oxazoles. This chemical's molecular formula is C₉H₆FNO and molecular weight is 163.15. What's more, its systematic name is 5-(4-fluorophenyl)isoxazole. It should be sealed and stored in a cool and dry place. What's more, it should be protected from oxides. It should be ensured that the workshop is well ventilated or equipped with exhaust devices.

Physical properties of Isoxazole, 5-(4-fluorophenyl)- are: (1)ACD/LogP: 2.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.37; (4)ACD/BCF (pH 5.5): 37.22; (5)ACD/KOC (pH 5.5): 463.38; (6)ACD/KOC (pH 7.4): 463.38; (7)#H bond acceptors: 2; (8)#H bond donors: 0; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 26.03 Å²; (11)Index of Refraction: 1.523; (12)Molar Refractivity: 41.22 cm³; (13)Molar Volume: 134.9 cm³; (14)Polarizability: 16.34×10^-24cm³; (15)Surface Tension: 38.3 dyne/cm; (16)Density: 1.209 g/cm³; (17)Flash Point: 120.6 °C; (18)Enthalpy of Vaporization: 49.36 kJ/mol; (19)Boiling Point: 275.8 °C at 760 mmHg; (20)Vapour Pressure: 0.00838 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc2ccc(c1oncc1)cc2
(2)InChI: InChI=1S/C9H6FNO/c10-8-3-1-7(2-4-8)9-5-6-11-12-9/h1-6H
(3)InChIKey: JZCBQTRPILCIBC-UHFFFAOYSA-N

Product Name

5-(4-FLUOROPHENYL)ISOXAZOLE

Isoxazole, 5-(4-fluorophenyl)- Specification

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