Benzene,4-fluoro-2-isocyanato-1-methyl- (67191-93-9)

The 5-Fluoro-2-methylphenyl isocyanate with cas registry number of 67191-93-9, belongs to the following product categories: (1)ISOCYANATE; (2)Isocyanates; (3)Nitrogen Compounds; (4)Organic Building Blocks. Its systematic name and IUPAC name are the same, which is 4-fluoro-2-isocyanato-1-methylbenzene.

Physical properties about this chemical are: (1)ACD/LogP: 3.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.21; (4)ACD/LogD (pH 7.4): 3.21; (5)ACD/BCF (pH 5.5): 163.16; (6)ACD/BCF (pH 7.4): 163.16; (7)ACD/KOC (pH 5.5): 1334.73; (8)ACD/KOC (pH 7.4): 1334.73; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 29.43 Å²; (13)Index of Refraction: 1.503; (14)Molar Refractivity: 40.45 cm³; (15)Molar Volume: 136.7 cm³; (16)Polarizability: 16.03×10^-24cm³; (17)Surface Tension: 32.5 dyne/cm; (18)Enthalpy of Vaporization: 43.8 kJ/mol; (19)Vapour Pressure: 0.303 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The 5-Fluoro-2-methylphenyl isocyanate irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
Besides this, 5-Fluoro-2-methylphenyl isocyanate is also harmful by inhalation and if swallowed.

You can still convert the following datas into molecular structure: 
(1)SMILES:Fc1cc(/N=C=O)c(cc1)C;
(2)InChI:InChI=1/C8H6FNO/c1-6-2-3-7(9)4-8(6)10-5-11/h2-4H,1H3;
(3)InChIKey:KRAMFLATTKXGOW-UHFFFAOYAD;
(4)Std. InChI:InChI=1S/C8H6FNO/c1-6-2-3-7(9)4-8(6)10-5-11/h2-4H,1H3;
(5)Std. InChIKey:KRAMFLATTKXGOW-UHFFFAOYSA-N