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131747-62-1

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Basic Information
CAS No.: 131747-62-1
Name: 3-TRIFLUOROMETHYL-2-FORMYLPYRIDINE
Molecular Structure:
Molecular Structure of 131747-62-1 (3-TRIFLUOROMETHYL-2-FORMYLPYRIDINE)
Formula: C7H4F3NO
Molecular Weight: 175.11
Synonyms: 3-(trifluoromethyl)pyridine-2-carbaldehyde
Density: 1.369g/cm3
Boiling Point: 200 °C at 760 mmHg
Flash Point: 74.7 °C
Hazard Symbols: IrritantXi
Risk Codes:  Xi:Irritant;
">  Xi:Irritant;
Safety: 36/37
PSA: 29.96000
LogP: 1.91290
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  • 3-(TrifluoroMethyl)pyridine-2-carboxaldehyde

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  • 3-(trifluoromethyl)pyridine-2-carbaldehyde

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  • 3-(Trifluoromethyl)pyridine-2-carboxaldehyde

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    3-(Trifluoromethyl)pyridine-2-carboxaldehyde

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Specification

The 2-Pyridinecarboxaldehyde,3-(trifluoromethyl)-, with CAS registry number 131747-62-1, belongs to the following product categories: (1)Pharmacetical; (2)Pyridine; (3)Building Blocks; (4)Fluorinated. It has the systematic name of 3-(trifluoromethyl)pyridine-2-carbaldehyde. And the chemical formula of this chemical is C7H4F3NO.

Physical properties of 2-Pyridinecarboxaldehyde,3-(trifluoromethyl)-: (1)ACD/LogP: 1.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.41; (4)ACD/LogD (pH 7.4): 1.41; (5)#H bond acceptors: 2; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 29.96 Å2; (9)Index of Refraction: 1.476; (10)Molar Refractivity: 36.07 cm3; (11)Molar Volume: 127.8 cm3; (12)Polarizability: 14.3×10-24cm3; (13)Surface Tension: 31.8 dyne/cm; (14)Density: 1.369 g/cm3; (15)Flash Point: 74.7 °C; (16)Enthalpy of Vaporization: 43.62 kJ/mol; (17)Boiling Point: 200 °C at 760 mmHg; (18)Vapour Pressure: 0.332 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1ncccc1C(F)(F)F
(2)InChI: InChI=1/C7H4F3NO/c8-7(9,10)5-2-1-3-11-6(5)4-12/h1-4H
(3)InChIKey: FIIIEUQXYKDPRD-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C7H4F3NO/c8-7(9,10)5-2-1-3-11-6(5)4-12/h1-4H
(5)Std. InChIKey: FIIIEUQXYKDPRD-UHFFFAOYSA-N