3-(TRIFLUOROMETHYL)-4-METHYLPHENYL ISOC&

The Benzene, 4-isocyanato-1-methyl-2-(trifluoromethyl)-, with the CAS registry number 51903-64-1, is also known as 4-Methyl-3-(Trifluoromethyl) Phenylisocyanate. It belongs to the product categories of Phenyl Isocyanate & Phenyl Isothiocyanate; Isocyanates; Nitrogen Compounds; Organic Building Blocks. This chemical's molecular formula is C₉H₆F₃NO and molecular weight is 201.15. What's more, its systematic name is 4-Isocyanato-1-methyl-2-(trifluoromethyl)benzene. In addition, it must be stored in airtight containers and placed in a dry, cool place.

Physical properties about Benzene, 4-isocyanato-1-methyl-2-(trifluoromethyl)- are: (1)ACD/LogP: 4.41; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 29.43 Å²; (7)Index of Refraction: 1.464; (8)Molar Refractivity: 45.33 cm³; (9)Molar Volume: 164.1 cm³; (10)Polarizability: 17.97×10^-24 cm³; (11)Surface Tension: 28.8 dyne/cm; (12)Density: 1.22 g/cm³; (13)Flash Point: 82.2 °C; (14)Enthalpy of Vaporization: 43.15 kJ/mol; (15)Boiling Point: 195.3 °C at 760 mmHg; (16)Vapour Pressure: 0.423 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical is harmful by inhalation, in contact with skin and if swallowed. During using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)(F)c1cc(\N=C=O)ccc1C
(2) InChI: InChI=1/C9H6F3NO/c1-6-2-3-7(13-5-14)4-8(6)9(10,11)12/h2-4H,1H3
(3) InChIKey: XWSZWQGFJRBXMO-UHFFFAOYAS