2-(4-Fluorophenyl)benzoxazole supplier

Name
2-(4-Fluorophenyl)benzoxazole
EINECS
CAS No. 397-54-6
Article Data98
CAS DataBase
Density 1.261 g/cm³
Solubility
Melting Point
Formula C₁₃H₈FNO
Boiling Point 291.1 °C at 760 mmHg
Molecular Weight 213.211
Flash Point 129.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-(4-Fluoro-phenyl)-benzooxazole;2-(4-Fluorophenyl)-1,3-benzoxazole;
PSA 26.03000
LogP 3.63390

2-(4-Fluorophenyl)benzoxazole Specification

This chemical is called 2-(4-Fluorophenyl)benzoxazole, and its systematic name is 2-(4-fluorophenyl)-1,3-benzoxazole. With the molecular formula of C₁₃H₈FNO, its molecular weight is 213.21. The CAS registry number of this chemical is 397-54-6.

Other characteristics of the 2-(4-Fluorophenyl)benzoxazole can be summarised as followings: (1)ACD/LogP: 4.23; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 26.03 Å²; (7)Index of Refraction: 1.615; (8)Molar Refractivity: 59.07 cm³; (9)Molar Volume: 169 cm³; (10)Polarizability: 23.41×10^-24cm³; (11)Surface Tension: 45.7 dyne/cm; (12)Density: 1.261 g/cm³; (13)Flash Point: 129.9 °C; (14)Enthalpy of Vaporization: 50.93 kJ/mol; (15)Boiling Point: 291.1 °C at 760 mmHg; (16)Vapour Pressure: 0.00346 mmHg at 25°C.

Uses of this chemical: The 4c,9c-bis-(4-fluoro-phenyl)-5,10-dioxa-4b,9b-diaza-cyclobuta[1,2-a;3,4-a']diindene could be obtained by the 2-(4-Fluorophenyl)benzoxazole. This reaction needs the solvent of cyclohexane. The yield is 41 %. In addition, this reaction should be taken for 8 hours by irradiation.

The 4c,9c-bis-(4-fluoro-phenyl)-5,10-dioxa-4b,9b-diaza-cyclobuta[1,2-a;3,4-a']diindene could be obtained by the 2-(4-Fluorophenyl)benzoxazole

You can still convert the following datas into molecular structure:
1.SMILES: Fc3ccc(c1nc2ccccc2o1)cc3
2.InChI: InChI=1/C13H8FNO/c14-10-7-5-9(6-8-10)13-15-11-3-1-2-4-12(11)16-13/h1-8H
3.InChIKey: KETHPFOJWJUQFI-UHFFFAOYAU

Product Name

2-(4-Fluorophenyl)benzoxazole

2-(4-Fluorophenyl)benzoxazole Specification

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