2-(Trifluoromethyl)-4H-pyran-4-one supplier

Name
2-(trifluoromethyl)-4H-pyran-4-one
EINECS 200-258-5
CAS No. 204516-31-4
Article Data9
CAS DataBase
Density 1.47 g/cm³
Solubility
Melting Point 21℃
Formula C₆H₃F₃O₂
Boiling Point 153.549 °C at 760 mmHg
Molecular Weight 164.082
Flash Point 46.059 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-(trifluoromethyl)-4H-pyran-4-one
PSA 30.21000
LogP 1.65860

2-(Trifluoromethyl)-4H-pyran-4-one Specification

This product is an organic compound with the formula C₆H₃F₃O₂. The systematic name of this chemical is 2-(trifluoromethyl)-4H-pyran-4-one and the CAS registry number is 204516-31-4. In addition, the molecular weight is 164.082.

The other characteristics of 2-(Trifluoromethyl)-4H-pyran-4-one can be summarized as: (1)ACD/LogP: 0.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 7; (6)ACD/BCF (pH 7.4): 7; (7)ACD/KOC (pH 5.5): 144; (8)ACD/KOC (pH 7.4): 144; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.429; (14)Molar Refractivity: 28.786 cm³; (15)Molar Volume: 111.643 cm³; (16)Polarizability: 11.411×10^-24 cm³; (17)Surface Tension: 30.046 dyne/cm; (18)Density: 1.47 g/cm³; (19)Flash Point: 46.059 °C; (20)Enthalpy of Vaporization: 39.034 kJ/mol; (21)Boiling Point: 153.549 °C at 760 mmHg; (22)Vapour Pressure: 3.315 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1. SMILES:FC(F)(F)C=1O/C=C\C(=O)C=1
2. InChI:InChI=1/C6H3F3O2/c7-6(8,9)5-3-4(10)1-2-11-5/h1-3H
3. InChIKey:VGHCSARTLMMHGM-UHFFFAOYAD
4. Std. InChI:InChI=1S/C6H3F3O2/c7-6(8,9)5-3-4(10)1-2-11-5/h1-3H
5. Std. InChIKey:VGHCSARTLMMHGM-UHFFFAOYSA-N

Product Name

2-(trifluoromethyl)-4H-pyran-4-one

2-(Trifluoromethyl)-4H-pyran-4-one Specification

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