2-(Trifluoroacetyl)pyridine supplier

Name
Ethanone, 2,2,2-trifluoro-1-(2-pyridinyl)- (9CI)
EINECS
CAS No. 33284-17-2
Article Data6
CAS DataBase
Density 1.341 g/cm³
Solubility
Melting Point
Formula C₇H₄F₃NO
Boiling Point 172.9 °C at 760 mmHg
Molecular Weight 175.11
Flash Point 58.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Ketone,2-pyridyl trifluoromethyl (8CI);2,2,2-trifluoro-1-pyridin-2-ylethanone;Ethanone, 2,2,2-trifluoro-1-(2-pyridinyl)-;2-(Trifluoroacetyl)pyridine;2-(Trifluoroacetyl)pyridine (contains gem-diol);
PSA 29.96000
LogP 1.82660

2-(Trifluoroacetyl)pyridine Specification

The 2-(Trifluoroacetyl)pyridine, with the cas registry number 33284-17-2, has the systematic name of 2,2,2-trifluoro-1-pyridin-2-ylethanone. It belongs to the product category of Acetylhalide. And the molecular formula of the chemical is C₇H₄F₃NO.

The characteristics of this chemical are as followings: (1)ACD/LogP: 1.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.35; (4)ACD/LogD (pH 7.4): 1.35; (5)ACD/BCF (pH 5.5): 6.29; (6)ACD/BCF (pH 7.4): 6.29; (7)ACD/KOC (pH 5.5): 129.8; (8)ACD/KOC (pH 7.4): 129.8; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 29.96 Å²; (13)Index of Refraction: 1.446; (14)Molar Refractivity: 34.82 cm³; (15)Molar Volume: 130.5 cm³; (16)Polarizability: 13.8×10^-24cm³; (17)Surface Tension: 31.8 dyne/cm; (18)Density: 1.341 g/cm³; (19)Flash Point: 58.4 °C; (20)Enthalpy of Vaporization: 40.93 kJ/mol; (21)Boiling Point: 172.9 °C at 760 mmHg; (22)Vapour Pressure: 1.3 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(c1ccccn1)C(F)(F)F
(2)InChI: InChI=1/C7H4F3NO/c8-7(9,10)6(12)5-3-1-2-4-11-5/h1-4H
(3)InChIKey: WBDGOEPVBPCRLY-UHFFFAOYAV

Product Name

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

2-(Trifluoroacetyl)pyridine Specification

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