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Thieno[2,3-b]pyridine-2-carbonitrile, 3-amino-6-methyl-4-(trifluoromethyl)-

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Name

Thieno[2,3-b]pyridine-2-carbonitrile, 3-amino-6-methyl-4-(trifluoromethyl)-

EINECS N/A
CAS No. 317840-08-7 Density 1.52 g/cm3
PSA 90.94000 LogP 3.65858
Solubility N/A Melting Point 182 °C
Formula C10H6F3N3S Boiling Point 404.6 °C at 760 mmHg
Molecular Weight 257.23 Flash Point 198.5 °C
Transport Information 3439 Appearance N/A
Safety 26-36/37/39 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 317840-08-7 (3-AMINO-6-METHYL-4-(TRIFLUOROMETHYL)THIENO[2,3-B]PYRIDINE-2-CARBONITRILE) Hazard Symbols R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.;
Synonyms

3-amino-6-methyl-4-(trifluoromethyl)thiopheno[2,3-b]pyridine-2-carbonitrile;2-Fluoro-3-Nitrobenzoic Acid;

 

Thieno[2,3-b]pyridine-2-carbonitrile, 3-amino-6-methyl-4-(trifluoromethyl)- Specification

The CAS register number of Thieno[2,3-b]pyridine-2-carbonitrile, 3-amino-6-methyl-4-(trifluoromethyl)- is 317840-08-7. It also can be called as 2-Fluoro-3-Nitrobenzoic Acid and the systematic name about this chemical is 3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonitrile. The molecular formula about this chemical is C10H6F3N3S and the molecular weight is 257.23. It belongs to the following product categories which include Pyridine; Fused Ring Systems and so on.

Physical properties about Thieno[2,3-b]pyridine-2-carbonitrile, 3-amino-6-methyl-4-(trifluoromethyl)- are: (1)ACD/LogP: 3.49; (2)#H bond acceptors: 3; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 1; (5)Polar Surface Area: 68.16Å2; (6)Index of Refraction: 1.605; (7)Molar Refractivity: 58.04 cm3; (8)Molar Volume: 168.3 cm3; (9)Polarizability: 23.01x10-24cm3; (10)Surface Tension: 58.9 dyne/cm; (11)Flash Point: 198.5 °C; (12)Enthalpy of Vaporization: 65.61 kJ/mol; (13)Boiling Point: 404.6 °C at 760 mmHg; (14)Vapour Pressure: 9.34E-07 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1cc(nc2sc(C#N)c(c12)N)C
(2)InChI: InChI=1/C10H6F3N3S/c1-4-2-5(10(11,12)13)7-8(15)6(3-14)17-9(7)16-4/h2H,15H2,1H3
(3)InChIKey: XJKNYGYNTGJUJP-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C10H6F3N3S/c1-4-2-5(10(11,12)13)7-8(15)6(3-14)17-9(7)16-4/h2H,15H2,1H3
(5)Std. InChIKey: XJKNYGYNTGJUJP-UHFFFAOYSA-N

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