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CAS No.: | 284665-40-3 |
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Name: | 4-(3,5-BIS-TRIFLUOROMETHYLPHENYL)THIAZOL-2-YLAMINE |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C11H6F6N2S |
Molecular Weight: | 312.238 |
Synonyms: | 4-[3,5-Bis(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;4-[3,5-Di(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;2-Amino-4-(3,5-bis(trifluoromethyl)phenyl)thiazole;4-(3,5-Bis-trifluoromethylphenyl)thiazol-2-ylamine; |
Density: | 1.51 g/cm3 |
Melting Point: | 146.3-147.6 °C |
Boiling Point: | 338.793 °C at 760 mmHg |
Flash Point: | 158.697 °C |
Hazard Symbols: | T |
Risk Codes: | 25 |
Safety: | 45 |
PSA: | 67.15000 |
LogP: | 5.01110 |
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The 4-(3,5-Bis-trifluoromethylphenyl)thiazol-2-ylamine, with the CAS registry number 284665-40-3, is also known as 2-Amino-4-(3,5-bis(trifluoromethyl)phenyl)thiazole. This chemical's molecular formula is C11H6F6N2S and molecular weight is 312.23. What's more, its systematic name is 4-[3,5-Bis(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.
Physical properties of 4-(3,5-Bis-trifluoromethylphenyl)thiazol-2-ylamine are: (1)ACD/LogP: 3.534; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.53; (4)ACD/LogD (pH 7.4): 3.53; (5)ACD/BCF (pH 5.5): 282.43; (6)ACD/BCF (pH 7.4): 285.38; (7)ACD/KOC (pH 5.5): 1970.92; (8)ACD/KOC (pH 7.4): 1991.49; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 67.15 Å2; (13)Index of Refraction: 1.507; (14)Molar Refractivity: 61.516 cm3; (15)Molar Volume: 206.723 cm3; (16)Polarizability: 24.387×10-24cm3; (17)Surface Tension: 33.73 dyne/cm; (18)Density: 1.51 g/cm3; (19)Flash Point: 158.697 °C; (20)Enthalpy of Vaporization: 58.218 kJ/mol; (21)Boiling Point: 338.793 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1cc(cc(c1)C(F)(F)F)c2nc(sc2)N
(2)Std. InChI: InChI=1S/C11H6F6N2S/c12-10(13,14)6-1-5(8-4-20-9(18)19-8)2-7(3-6)11(15,16)17/h1-4H,(H2,18,19)
(3)Std. InChIKey: YXPRLOAPZGLDGA-UHFFFAOYSA-N