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CAS No.: | 49713-51-1 |
---|---|
Name: | 6-(TRIFLUOROMETHYL)QUINOLIN-4-OL |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C10H6F3NO |
Molecular Weight: | 213.159 |
Synonyms: | 6-(Trifluoromethyl)-4-quinolinol;BUTTPARK 10\01-36;6-(Trifluoromethyl)quinolin-4-ol;4-Hydroxy-6-(trifluoromethyl)quinoline; |
Density: | 1.369 g/cm3 |
Melting Point: | 265 °C |
Boiling Point: | 269.1 °C at 760 mmHg |
Flash Point: | 116.6 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 33.12000 |
LogP: | 2.95920 |
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The CAS register number of 4-Quinolinol,6-(trifluoromethyl)- is 49713-51-1. It also can be called as 4-Hydroxy-6-(trifluoromethyl)quinoline and the IUPAC name about this chemical is 6-(trifluoromethyl)-1H-quinolin-4-one. The molecular formula about this chemical is C10H6F3NO and the molecular weight is 213.16. It belongs to the following product category which includes Heterocycles.
Physical properties about 4-Quinolinol,6-(trifluoromethyl)- are: (1)ACD/LogP: 3.51; (2)ACD/LogD (pH 5.5): 3.51; (3)ACD/LogD (pH 7.4): 3.51; (4)ACD/BCF (pH 5.5): 273.64; (5)ACD/BCF (pH 7.4): 273.64; (6)ACD/KOC (pH 5.5): 1932.56; (7)ACD/KOC (pH 7.4): 1932.57; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)Polar Surface Area: 20.31 Å2; (11)Index of Refraction: 1.509; (12)Molar Refractivity: 46.48 cm3; (13)Molar Volume: 155.5 cm3; (14)Polarizability: 18.42x10-24cm3; (15)Surface Tension: 33.9 dyne/cm; (16)Density: 1.369 g/cm3; (17)Flash Point: 116.6 °C; (18)Enthalpy of Vaporization: 50.73 kJ/mol; (19)Boiling Point: 269.1 °C at 760 mmHg; (20)Vapour Pressure: 0.00738 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. If you want to use it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to store it, you should keep the container tightly sealed in dry, cool places. If you store and use this chemical according the rule, it will not be decomposed. Please ensure that the workshop is well ventilated or equipped with exhaust device.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c2ccc1c(C(=O)\C=C/N1)c2
(2)InChI: InChI=1/C10H6F3NO/c11-10(12,13)6-1-2-8-7(5-6)9(15)3-4-14-8/h1-5H,(H,14,15)
(3)InChIKey: CEIVPELVRVTMJW-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C10H6F3NO/c11-10(12,13)6-1-2-8-7(5-6)9(15)3-4-14-8/h1-5H,(H,14,15)
(5)Std. InChIKey: CEIVPELVRVTMJW-UHFFFAOYSA-N