2-Hydroxy-4-(trifluoromethyl)quinoline supplier

Name
2-HYDROXY-4-(TRIFLUOROMETHYL)QUINOLINE
EINECS
CAS No. 25199-84-2
Article Data13
CAS DataBase
Density 1.392 g/cm³
Solubility
Melting Point >240 °C
Formula C₁₀H₆F₃NO
Boiling Point 284.1 °C at 760 mmHg
Molecular Weight 213.159
Flash Point 125.6 °C
Transport Information
Appearance
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Carbostyril,4-(trifluoromethyl)- (8CI);4-(Trifluoromethyl)-2(1H)-quinolinone;4-(Trifluoromethyl)quinolin-2-ol;4-Trifluoromethyl-1H-quinolin-2-one;
PSA 33.12000
LogP 2.95920

2-Hydroxy-4-(trifluoromethyl)quinoline Specification

The systematic name of 2-Hydroxy-4-(trifluoromethyl)quinoline is 4-(trifluoromethyl)quinolin-2(1H)-one. With the CAS registry number 25199-84-2, it is also named as 4-(Trifluoromethyl)quinolin-2-ol. In addition, its molecular formula is C₁₀H₆F₃NO and its molecular weight is 213.16.

The other characteristics of 2-Hydroxy-4-(trifluoromethyl)quinoline can be summarized as: (1)ACD/LogP: 2.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.37; (4)ACD/LogD (pH 7.4): 2.36; (5)ACD/BCF (pH 5.5): 36.95; (6)ACD/BCF (pH 7.4): 36.92; (7)ACD/KOC (pH 5.5): 460.99; (8)ACD/KOC (pH 7.4): 460.67; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 20.31 Å²; (13)Index of Refraction: 1.516; (14)Molar Refractivity: 46.29 cm³; (15)Molar Volume: 153.1 cm³; (16)Polarizability: 18.35×10^-24cm³; (17)Surface Tension: 35.4 dyne/cm; (18)Density: 1.391 g/cm³; (19)Flash Point: 125.6 °C; (20)Melting Point: >240 °C; (21)Enthalpy of Vaporization: 52.3 kJ/mol; (22)Boiling Point: 284.1 °C at 760 mmHg; (23)Vapour Pressure: 0.00304 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: FC(F)(F)C=2c1c(cccc1)NC(=O)C=2
(2)InChI: InChI=1/C10H6F3NO/c11-10(12,13)7-5-9(15)14-8-4-2-1-3-6(7)8/h1-5H,(H,14,15)
(3)InChIKey: UUROBWTVZZNDFD-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C10H6F3NO/c11-10(12,13)7-5-9(15)14-8-4-2-1-3-6(7)8/h1-5H,(H,14,15)
(5)Std. InChIKey: UUROBWTVZZNDFD-UHFFFAOYSA-N

Product Name

2-HYDROXY-4-(TRIFLUOROMETHYL)QUINOLINE

2-Hydroxy-4-(trifluoromethyl)quinoline Specification

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