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CAS No.: | 243977-15-3 |
---|---|
Name: | 4-AMINO-8-(TRIFLUOROMETHYL)QUINOLINE |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C10H7F3N2 |
Molecular Weight: | 212.174 |
Synonyms: | 8-(Trifluoromethyl)quinolin-4-amine;8-Trifluoromethyl-quinolin-4-ylamine; |
Density: | 1.39 g/cm3 |
Boiling Point: | 329.7 °C at 760 mmHg |
Flash Point: | 153.2 °C |
Appearance: | white powder |
Hazard Symbols: | Xi |
Risk Codes: | 25 |
Safety: | 45 |
PSA: | 38.91000 |
LogP: | 3.41700 |
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The 4-Quinolinamine,8-(trifluoromethyl)-, with the CAS registry number 243977-15-3, is also known as 8-Trifluoromethyl-quinolin-4-ylamine. This chemical's molecular formula is C10H7F3N2 and molecular weight is 212.17. What's more, its systematic name is 8-(trifluoromethyl)quinolin-4-amine. It should be sealed and stored in a cool, ventilated and dry place. Moreover, it should be protected from oxides.
Physical properties of 4-Quinolinamine,8-(trifluoromethyl)- are: (1)ACD/LogP: 2.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.8; (4)ACD/LogD (pH 7.4): 1.96; (5)ACD/BCF (pH 5.5): 1.19; (6)ACD/BCF (pH 7.4): 17.3; (7)ACD/KOC (pH 5.5): 17.47; (8)ACD/KOC (pH 7.4): 252.97; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 16.13 Å2; (13)Index of Refraction: 1.588; (14)Molar Refractivity: 51.4 cm3; (15)Molar Volume: 152.5 cm3; (16)Polarizability: 20.37×10-24cm3; (17)Surface Tension: 41.9 dyne/cm; (18)Density: 1.39 g/cm3; (19)Flash Point: 153.2 °C; (20)Enthalpy of Vaporization: 57.22 kJ/mol; (21)Boiling Point: 329.7 °C at 760 mmHg; (22)Vapour Pressure: 0.000175 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1cccc2c(ccnc12)N
(2)Std. InChI: InChI=1S/C10H7F3N2/c11-10(12,13)7-3-1-2-6-8(14)4-5-15-9(6)7/h1-5H,(H2,14,15)
(3)Std. InChIKey: JTMLOHYYNHRKTF-UHFFFAOYSA-N