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4-Quinolinol,2,6-bis(trifluoromethyl)-

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Name

4-Quinolinol,2,6-bis(trifluoromethyl)-

EINECS N/A
CAS No. 35877-04-4 Density 1.506 g/cm3
PSA 33.12000 LogP 3.97800
Solubility N/A Melting Point 280-290 °C
Formula C11H5F6NO Boiling Point 237.6 °C at 760 mmHg
Molecular Weight 281.15 Flash Point 97.5 °C
Transport Information N/A Appearance N/A
Safety 26-36-37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 35877-04-4 (2,6-BIS(TRIFLUOROMETHYL)-4-HYDROXYQUINOLINE) Hazard Symbols IrritantXi
Synonyms

2,6-bis(trifluoromethyl)quinolin-4(1H)-one;2,6-bis(trifluoromethyl)quinolin-4-ol;4-Quinolinol, 2,6-bis(trifluoromethyl)-;

 

4-Quinolinol,2,6-bis(trifluoromethyl)- Specification

The 4-Quinolinol,2,6-bis(trifluoromethyl)-, with the CAS registry number 35877-04-4, has the systematic name of 2,6-bis(trifluoromethyl)quinolin-4(1H)-one. It belongs to the product categories of Quinoline & Isoquinoline. The molecular formula of the chemical is C11H5F6NO.

The characteristics of 4-Quinolinol,2,6-bis(trifluoromethyl)- are as followings: (1)ACD/LogP: 5.29; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.29; (4)ACD/LogD (pH 7.4): 5.29; (5)ACD/BCF (pH 5.5): 6117.94; (6)ACD/BCF (pH 7.4): 6117.94; (7)ACD/KOC (pH 5.5): 17866.67; (8)ACD/KOC (pH 7.4): 17866.67; (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: 1.461; (14)Molar Refractivity: 51.27 cm3; (15)Molar Volume: 186.6 cm3; (16)Polarizability: 20.32×10-24cm3; (17)Surface Tension: 29.6 dyne/cm; (18)Density: 1.506 g/cm3; (19)Flash Point: 97.5 °C; (20)Enthalpy of Vaporization: 47.45 kJ/mol; (21)Boiling Point: 237.6 °C at 760 mmHg; (22)Vapour Pressure: 0.0444 mmHg at 25°C.  
 
You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice. 

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: FC(F)(F)c2ccc1c(C(=O)\C=C(/N1)C(F)(F)F)c2
(2)InChI: InChI=1/C11H5F6NO/c12-10(13,14)5-1-2-7-6(3-5)8(19)4-9(18-7)11(15,16)17/h1-4H,(H,18,19)
(3)InChIKey: AOGNHURBEDTPIZ-UHFFFAOYAZ

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