4H-1-Benzopyran-4-one,6-ethyl-7-hydroxy-3-phenyl-2-(trifluoromethyl)- supplier

Name
6-ETHYL-7-HYDROXY-3-PHENYL-2-TRIFLUOROMETHYL-CHROMEN-4-ONE
EINECS
CAS No. 105258-37-5
Article Data1
CAS DataBase
Density 1.383g/cm³
Solubility
Melting Point
Formula C₁₈H₁₃F₃O₃
Boiling Point 432.1 °Cat760mmHg
Molecular Weight 334.29
Flash Point 215.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4H-1-Benzopyran-4-one, 6-ethyl-7-hydroxy-3-phenyl-2-(trifluoromethyl)-; 6-Ethyl-7-hydroxy-3-phenyl-2-(trifluoromethyl)-4H-chromen-4-one; 6-Ethyl-7-hydroxy-3-phenyl-2-trifluoromethyl-chromen-4-one
PSA 50.44000
LogP 4.74680

4H-1-Benzopyran-4-one,6-ethyl-7-hydroxy-3-phenyl-2-(trifluoromethyl)- Specification

This chemical is called 4H-1-Benzopyran-4-one,6-ethyl-7-hydroxy-3-phenyl-2-(trifluoromethyl)-, and its systematic name is 6-ethyl-7-hydroxy-3-phenyl-2-(trifluoromethyl)-4H-chromen-4-one. With the molecular formula of C₁₈H₁₃F₃O₃, its molecular weight is 334.29. The CAS registry number of this chemical is 105258-37-5.

Other characteristics of the 4H-1-Benzopyran-4-one,6-ethyl-7-hydroxy-3-phenyl-2-(trifluoromethyl)- can be summarised as followings: (1)ACD/LogP: 5.98; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 35.53 Å²; (7)Index of Refraction: 1.58; (8)Molar Refractivity: 80.42 cm³; (9)Molar Volume: 241.5 cm³; (10)Polarizability: 31.88×10^-24cm³; (11)Surface Tension: 46 dyne/cm; (12)Density: 1.383 g/cm³; (13)Flash Point: 215.2 °C; (14)Enthalpy of Vaporization: 71.45 kJ/mol; (15)Boiling Point: 432.1 °C at 760 mmHg; (16)Vapour Pressure: 4.49E-08 mmHg at 25°C.

Production method of this chemical: The 4H-1-Benzopyran-4-one,6-ethyl-7-hydroxy-3-phenyl-2-(trifluoromethyl)- could be obtained by the reactants of trifluoroacetic acid anhydride and 5-ethyl-2,4-dihydroxy-deoxybenzoin. This reaction needs the reagent of pyridine. The yield is 92 %. In addition, this reaction should be taken at the temperature of 0 °C.

The 4H-1-Benzopyran-4-one,6-ethyl-7-hydroxy-3-phenyl-2-(trifluoromethyl)- could be obtained by the reactants of trifluoroacetic acid anhydride and 5-ethyl-2,4-dihydroxy-deoxybenzoin

You can still convert the following datas into molecular structure:
1.SMILES: FC(F)(F)C=2Oc1cc(O)c(cc1C(=O)C=2c3ccccc3)CC
2.InChI: InChI=1/C18H13F3O3/c1-2-10-8-12-14(9-13(10)22)24-17(18(19,20)21)15(16(12)23)11-6-4-3-5-7-11/h3-9,22H,2H2,1H3
3.InChIKey: CPRNHRFNUCHSII-UHFFFAOYAD

Product Name

6-ETHYL-7-HYDROXY-3-PHENYL-2-TRIFLUOROMETHYL-CHROMEN-4-ONE

4H-1-Benzopyran-4-one,6-ethyl-7-hydroxy-3-phenyl-2-(trifluoromethyl)- Specification

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