Name: 6-Trifluoromethyl-pyridine-2-carbaldehyde
SKU: 131747-65-4

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Basic Information

Molecular Structure:
CAS No.:	131747-65-4
Name:	6-Trifluoromethyl-pyridine-2-carbaldehyde
Article Data:	5

Formula:	C₇H₄F₃NO
Molecular Weight:	175.11
Synonyms:	6-Trifluoromethylpyridine-2-carboxaldehyde;
Density:	1.369 g/cm³
Boiling Point:	168.7 °C at 760 mmHg
Flash Point:	55.8 °C
Hazard Symbols:	T
Risk Codes:	25-36/37/38-43
Safety:	26-36/37-45
PSA:	29.96000
LogP:	1.91290

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Specification

The 2-Pyridinecarboxaldehyde,6-(trifluoromethyl)- is an organic compound with the formula C₇H₄F₃NO. The systematic name of this chemical is 6-(Trifluoromethyl)pyridine-2-carbaldehyde. With the CAS registry number 131747-65-4, it is also named as 6-Trifluoromethyl-pyridine-2-carbaldehyde. Besides, its molecular weight is 175.108.

The physical properties of 2-Pyridinecarboxaldehyde,6-(trifluoromethyl)- are: (1)ACD/LogP: 1.27; (2)ACD/LogD (pH 5.5): 1.27; (3)ACD/LogD (pH 7.4): 1.27; (4)#H bond acceptors: 2; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 29.96 Å²; (7)Index of Refraction: 1.476; (8)Molar Refractivity: 36.07 cm³; (9)Molar Volume: 127.8 cm³; (10)Polarizability: 14.3×10^-24 cm³; (11)Surface Tension: 31.8 dyne/cm; (12)Density: 1.369 g/cm³; (13)Flash Point: 55.8 °C; (14)Enthalpy of Vaporization: 40.52 kJ/mol; (15)Boiling Point: 168.7 °C at 760 mmHg; (16)Vapour Pressure: 1.6 mmHg at 25 °C.

Preparation: this chemical can be prepared by (6-Trifluoromethyl-pyridin-2-yl)-methanol. This reaction will need reagents DMSO; N,N'-dicyclohexylcarbodiimide; H₃PO₄. The reaction time is 1.5 h. The yield is about 36%.

2-Pyridinecarboxaldehyde,6-(trifluoromethyl)- can be obtained by (6-Trifluoromethyl-pyridin-2-yl)-methanol

Uses of 2-Pyridinecarboxaldehyde,6-(trifluoromethyl)-: it can be used to produce 2',6'-Dimethyl-5'-nitro-6-trifluoromethyl-1',4'-dihydro-[2,4']bipyridinyl-3'-carboxylic acid phenethyl ester. It will need solvent propan-2-ol. The yield is about 37%.

2-Pyridinecarboxaldehyde,6-(trifluoromethyl)- can be used to produce 2',6'-Dimethyl-5'-nitro-6-trifluoromethyl-1',4'-dihydro-[2,4']bipyridinyl-3'-carboxylic acid phenethyl ester

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1cccc(C=O)n1
(2)InChI: InChI=1/C7H4F3NO/c8-7(9,10)6-3-1-2-5(4-12)11-6/h1-4H
(3)InChIKey: OMFVRHWVFINADV-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C7H4F3NO/c8-7(9,10)6-3-1-2-5(4-12)11-6/h1-4H
(5)Std. InChIKey: OMFVRHWVFINADV-UHFFFAOYSA-N