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16544-67-5

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Basic Information
CAS No.: 16544-67-5
Name: 6-(TRIFLUOROMETHYL)QUINAZOLIN-4(3H)-ONE
Article Data: 10
Molecular Structure:
Molecular Structure of 16544-67-5 (6-(TRIFLUOROMETHYL)QUINAZOLIN-4(3H)-ONE)
Formula: C9H5F3N2O
Molecular Weight: 214.147
Synonyms: 4(1H)-Quinazolinone, 6-(trifluoromethyl)-(9CI);6-(Trifluoromethyl)quinazolin-4-ol;
Density: 1.51 g/cm3
Melting Point: 209-211℃
Boiling Point: 358 °C at 760 mmHg
Flash Point: 170.3 °C
PSA: 46.01000
LogP: 2.35420
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Chemistry

Molecular Structure of 4(3H)-Quinazolinone, 6-(trifluoromethyl)- (CAS NO.16544-67-5):

Empirical Formula: C9H5F3N2O
Molecular Weight: 214.144
H bond acceptors: 3
H bond donors: 1
Freely Rotating Bonds: 0
Polar Surface Area: 41.46 Å2
Index of Refraction: 1.565
Molar Refractivity: 46.02 cm3
Molar Volume: 141.2 cm3
Surface Tension: 38.9 dyne/cm
Density: 1.51 g/cm3
Flash Point: 170.3 °C
Enthalpy of Vaporization: 60.35 kJ/mol
Boiling Point: 358 °C at 760 mmHg
Vapour Pressure: 2.62E-05 mmHg at 25°C
SMILES: FC(F)(F)c1ccc2/N=C\NC(=O)c2c1
InChI: InChI=1/C9H5F3N2O/c10-9(11,12)5-1-2-7-6(3-5)8(15)14-4-13-7/h1-4H,(H,13,14,15)

Specification

  4(3H)-Quinazolinone, 6-(trifluoromethyl)- , with CAS number of 16544-67-5, can be called 6-(Trifluoromethyl)quinazolin-4(3H)-one .