CAS No.104960-55-6,3-AMINO-6-PHENYL-4-(TRIFLUOROMETHYL)THIENO[2,3-B]PYRIDINE-2-CARBONITRILE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	104960-55-6
Name:	3-AMINO-6-PHENYL-4-(TRIFLUOROMETHYL)THIENO[2,3-B]PYRIDINE-2-CARBONITRILE
Article Data:	1

Formula:	C₁₅H₈F₃N₃S
Molecular Weight:	319.3
Synonyms:	AKOS BBS-00000399;3-AMINO-6-PHENYL-4-(TRIFLUOROMETHYL)THEINO[2,3-B]PYRIDINE-2-CARBONITRILE;3-AMINO-6-PHENYL-4-(TRIFLUOROMETHYL)THIENO[2,3-B]PYRIDINE-2-CARBONITRILE;3-Amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonitrile 97%;3-Amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonitrile97%
Density:	1.5 g/cm³
Melting Point:	236-238°C
Boiling Point:	527.5 °Cat760mmHg
Flash Point:	272.8 °C
Hazard Symbols:	Xi
Risk Codes:	20/21/22
Safety:	22-36/37/39
PSA:	90.94000
LogP:	5.01718

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Specification

This chemical is called Thieno[2,3-b]pyridine-2-carbonitrile,3-amino-6-phenyl-4-(trifluoromethyl)-, and its systematic name is 3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonitrile. With the molecular formula of C₁₅H₈F₃N₃S, its molecular weight is 319.3. The CAS registry number of this chemical is 104960-55-6. Additionally, its product category is Pyridine.

Other characteristics of the Thieno[2,3-b]pyridine-2-carbonitrile,3-amino-6-phenyl-4-(trifluoromethyl)- can be summarised as followings: (1)ACD/LogP: 5.33; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 3; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 68.16 Å²; (7)Index of Refraction: 1.66; (8)Molar Refractivity: 78.13 cm³; (9)Molar Volume: 211.5 cm³; (10)Polarizability: 30.97×10^-24cm³; (11)Surface Tension: 64.8 dyne/cm; (12)Density: 1.5 g/cm³; (13)Flash Point: 272.8 °C; (14)Enthalpy of Vaporization: 80.21 kJ/mol; (15)Boiling Point: 527.5 °C at 760 mmHg; (16)Vapour Pressure: 3.24E-11 mmHg at 25°C.

Production method of this chemical: The Thieno[2,3-b]pyridine-2-carbonitrile,3-amino-6-phenyl-4-(trifluoromethyl)- could be obtained by the reactant of 4-trifluoromethyl-6-phenyl-3-cyano-2-cyanomethylthiopyridine. This reaction needs the reagent of 10percent aq. KOH, and the solvent of dimethylformamide. The yield is 87 %. In addition, this reaction should be taken for half an hour at the temperature of 20 °C.

The Thieno[2,3-b]pyridine-2-carbonitrile,3-amino-6-phenyl-4-(trifluoromethyl)- could be obtained by the reactant of 4-trifluoromethyl-6-phenyl-3-cyano-2-cyanomethylthiopyridine

When you are using this chemical, please be cautious about it as the following: This chemical is harmful to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it.

You can still convert the following datas into molecular structure:
1.SMILES: FC(F)(F)c1cc(nc2sc(C#N)c(c12)N)c3ccccc3
2.InChI: InChI=1/C15H8F3N3S/c16-15(17,18)9-6-10(8-4-2-1-3-5-8)21-14-12(9)13(20)11(7-19)22-14/h1-6H,20H2
3.InChIKey: NIZDSIGQLYCWQN-UHFFFAOYAQ