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