2,3,4-TRIFLUOROPHENYL ISOCYANATE

The Benzene,1,2,3-trifluoro-4-isocyanato-, with the CAS registry number 190774-58-4, is also known as 2,3,4-Trifluorophenyl isocyanate. It belongs to the product categories of Isocyanate; Isocyanates; Nitrogen Compounds; Organic Building Blocks. This chemical's molecular formula is C₇H₂F₃NO and molecular weight is 173.09209. Its IUPAC name is called 1,2,3-trifluoro-4-isocyanatobenzene. This chemical is clear colorless liquid.

Physical properties of Benzene,1,2,3-trifluoro-4-isocyanato-: (1)ACD/LogP: 2.91; (2)ACD/LogD (pH 5.5): 2.9; (3)ACD/LogD (pH 7.4): 2.9; (4)ACD/BCF (pH 5.5): 95; (5)ACD/BCF (pH 7.4): 95; (6)ACD/KOC (pH 5.5): 906.26; (7)ACD/KOC (pH 7.4): 906.26; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.473; (11)Molar Refractivity: 35.77 cm³; (12)Molar Volume: 127.3 cm³; (13)Surface Tension: 29 dyne/cm; (14)Density: 1.35 g/cm³; (15)Flash Point: 62.2 °C; (16)Enthalpy of Vaporization: 42.77 kJ/mol; (17)Boiling Point: 191.5 °C at 760 mmHg; (18)Vapour Pressure: 0.513 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health. It is harmful by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=C(C(=C1N=C=O)F)F)F
(2)InChI: InChI=1S/C7H2F3NO/c8-4-1-2-5(11-3-12)7(10)6(4)9/h1-2H
(3)InChIKey: LSKOUPSEWMJCEP-UHFFFAOYSA-N