2-FLUORO-5-METHYLPHENYL ISOCYANATE

The Benzene,1-fluoro-2-isocyanato-4-methyl-, with the CAS registry number 190774-50-6, is also known as 2-Fluoro-5-methylphenyl isocyanate. It belongs to the product categories of Isocyanate; Halide; Phenyl Isocyanate & Phenyl Isothiocyanate; API Intermediates; Isocyanates; Nitrogen Compounds; Organic Building Blocks. This chemical's molecular formula is C₈H₆FNO and molecular weight is 151.14. What's more, its systematic name and its IUPAC name are the same which is called 1-Fluoro-2-isocyanato-4-methylbenzene. It should be preserved hermetically and put in a cool, dry place.

Physical properties about Benzene,1-fluoro-2-isocyanato-4-methyl-: (1)ACD/LogP: 3.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.04; (4)ACD/LogD (pH 7.4): 3.04; (5)ACD/BCF (pH 5.5): 120.33; (6)ACD/BCF (pH 7.4): 120.33; (7)ACD/KOC (pH 5.5): 1073.34; (8)ACD/KOC (pH 7.4): 1073.34; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 29.43 Ų; (13)Index of Refraction: 1.503; (14)Molar Refractivity: 40.45 cm³; (15)Molar Volume: 136.7 cm³; (16)Surface Tension: 32.5 dyne/cm; (17)Density: 1.1 g/cm³; (18)Flash Point: 75.5 °C; (19)Enthalpy of Vaporization: 44.34 kJ/mol; (20)Boiling Point: 207.2 °C at 760 mmHg; (21)Vapour Pressure: 0.229 mmHg at 25 °C.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin and may destroy living tissue on contacting. It may cause damage to health by inhalation, in contacting with skin and if swallowed at low levels. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. And in case of contacting with eyes, you should rise immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: Fc1ccc(cc1/N=C=O)C
(2) InChI: InChI=1/C8H6FNO/c1-6-2-3-7(9)8(4-6)10-5-11/h2-4H,1H3
(3) InChIKey: GLSUJZPVKMKUPJ-UHFFFAOYAS