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Molecular Structure of 7-(Trifluorophenyl)quinolin-4-ol (CAS NO.322-97-4):
IUPAC Name: 7-(trifluoromethyl)-1H-quinolin-4-one
Empirical Formula: C10H6F3NO
Molecular Weight: 213.1559
H bond acceptors: 2
H bond donors: 1
Freely Rotating Bonds: 0
Polar Surface Area: 20.31 Å2
Index of Refraction: 1.509
Molar Refractivity: 46.48 cm3
Molar Volume: 155.5 cm3
Surface Tension: 33.9 dyne/cm
Density: 1.369 g/cm3
Flash Point: 114.4 °C
Enthalpy of Vaporization: 50.35 kJ/mol
Boiling Point: 265.6 °C at 760 mmHg
Vapour Pressure: 0.00907 mmHg at 25°C
EINECS: 206-298-0
Melting point: 266-269 °C(lit.)
Product Categories: API intermediates; quinoline
InChI
InChI=1/C10H6F3NO/c11-10(12,13)6-1-2-7-8(5-6)14-4-3-9(7)15/h1-5H,(H,14,15)
Smiles
C(F)(F)(F)c1ccc2c(O)ccnc2c1
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S37/39:Wear suitable gloves and eye/face protection.
WGK Germany: 3
Hazard Note: Irritant
HazardClass: Irritant
7-(Trifluorophenyl)quinolin-4-ol , with CAS number of 322-97-4, can be called 4(1H)-quinolinone, 7-(trifluoromethyl)- ; 4-quinolinol, 7-(trifluoromethyl)- ; 4-Hydroxy-7-trifluoromethylquinoline . It is a light greyish-beige powder.