Molecular Structure of 3-(trifluoromethyl)cyclohexanol (CAS NO.22419-35-8):
Empirical Formula: C7H11F3O
Molecular Weight: 168.1568
CAS: 454-63-7
H bond acceptors: 1
H bond donors: 1
Freely Rotating Bonds: 1
Polar Surface Area: 9.23 Å2
Index of Refraction: 1.413
Molar Refractivity: 34.04 cm3
Molar Volume: 136.5 cm3
Surface Tension: 29.2 dyne/cm
Density: 1.231 g/cm3
Flash Point: 69.2 °C
Enthalpy of Vaporization: 46.23 kJ/mol
Boiling Point: 160.4 °C at 760 mmHg
Vapour Pressure: 0.836 mmHg at 25°C
SMILES: FC(F)(F)C1CC(O)CCC1
InChI: InChI=1/C7H11F3O/c8-7(9,10)5-2-1-3-6(11)4-5/h5-6,11H,1-4H2
Hazard Codes: Xi
Risk Statements: 10-36/37/38
R10:Flammable.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 16-26-36
S16:Keep away from sources of ignition.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
RIDADR: 1993
Hazard Note: Irritant
3-(trifluoromethyl)cyclohexanol , with CAS number of 22419-35-8, can be called cyclohexanol, 3-(trifluoromethyl)- ; 3-(Trifluoromethyl)cyclohexanol,cis/trans .
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