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Basic Information
CAS No.: 33284-21-8
Name: Ethanone, 2,2,2-trifluoro-1-(3-pyridinyl)- (9CI)
Article Data: 11
Molecular Structure:
Molecular Structure of 33284-21-8 (Ethanone, 2,2,2-trifluoro-1-(3-pyridinyl)- (9CI))
Formula: C7H4F3NO
Molecular Weight: 175.11
Synonyms: Ketone,3-pyridyl trifluoromethyl (8CI);3-Trifluoroacetylpyridine;
Density: 1.341 g/cm3
Boiling Point: 197.93 °C at 760 mmHg
Flash Point: 73.506 °C
PSA: 29.96000
LogP: 1.82660
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    33284-21-8

    Ethanone, 2,2,2-trifluoro-1-(3-pyridinyl)- (9CI)

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Specification

The 3-(Trifluoroacetyl)pyridine is an organic compound with the formula C7H4F3NO. The systematic name of this chemical is 2,2,2-trifluoro-1-pyridin-3-ylethanone. With the CAS registry number 33284-21-8, it is also named as ethanone, 2,2,2-trifluoro-1-(3-pyridinyl)-. The product's category is Acetylhalide.

Physical properties about 3-(Trifluoroacetyl)pyridine are: (1)ACD/LogP: 0.97; (2)#H bond acceptors: 2; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 29.96 Å2; (5)Index of Refraction: 1.446; (6)Molar Refractivity: 34.829 cm3; (7)Molar Volume: 130.579 cm3; (8)Polarizability: 13.807×10-24cm3; (9)Surface Tension: 31.856 dyne/cm; (10)Density: 1.341 g/cm3; (11)Flash Point: 73.506 °C; (12)Enthalpy of Vaporization: 43.413 kJ/mol; (13)Boiling Point: 197.93 °C at 760 mmHg; (14)Vapour Pressure: 0.369 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1cccnc1)C(F)(F)F
(2)InChI: InChI=1/C7H4F3NO/c8-7(9,10)6(12)5-2-1-3-11-4-5/h1-4H
(3)InChIKey: PUFPXTQTBPNXAD-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C7H4F3NO/c8-7(9,10)6(12)5-2-1-3-11-4-5/h1-4H
(5)Std. InChIKey: PUFPXTQTBPNXAD-UHFFFAOYSA-N