Molecular Structure of 5-Fluoro-2-(trifluoromethyl)phenylacetonitrile (CAS No.242812-09-5):

Molecular Formula: C₉H₅F₄N
Molecular Weight: 203.1363
CAS No: 242812-09-5
H bond acceptors: 1
H bond donors: 0
Freely Rotating Bonds: 1
Polar Surface Area: 23.79 Å²
Index of Refraction: 1.443
Molar Refractivity: 40.68 cm³
Molar Volume: 153.3 cm³
Surface Tension: 29.2 dyne/cm
Density: 1.324 g/cm³
Flash Point: 88.7 °C
Enthalpy of Vaporization: 44.14 kJ/mol
Boiling Point: 205.1 °C at 760 mmHg
Vapour Pressure: 0.254 mmHg at 25°C
InChI: InChI=1/C₉H₅F₄N/c10-7-1-2-8(9(11,12)13)6(5-7)3-4-14/h1-2,5H,3H2
InChIKey: ODNBTVLWRJNGCS-UHFFFAOYAO
Std. InChI: InChI=1S/C₉H₅F₄N/c10-7-1-2-8(9(11,12)13)6(5-7)3-4-14/h1-2,5H,3H2
Std. InChIKey: ODNBTVLWRJNGCS-UHFFFAOYSA-N
Synonyms of 5-Fluoro-2-(trifluoromethyl)phenylacetonitrile (CAS No.242812-09-5): 2-Trifluoromethyl-5-fluorobenzyl cyanide  

Hazard Codes:T
Risk Statements:20/21/22-36/37/38
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed. 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements:26-36/37/39-45
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection. 
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR:3276
Hazard Note:Toxic
HazardClass:TOXIC