3-CHLORO-2-METHYLPHENYL ISOCYANATE

The Benzene,1-chloro-3-isocyanato-2-methyl- is an organic compound with the formula C₈H₆ClNO. The IUPAC name of this chemical is 1-chloro-3-isocyanato-2-methylbenzene. With the CAS registry number 40397-90-8, it is also named as 3-chloro-2-methylbenzenisocyanate. The product's categories are Isocyanates; Nitrogen Compounds; Organic Building Blocks. Besides, it should be stored in a closed cool and dry place.

Physical properties about Benzene,1-chloro-3-isocyanato-2-methyl- are: (1)ACD/LogP: 3.76; (2)ACD/LogD (pH 5.5): 3.76; (3)ACD/LogD (pH 7.4): 3.76; (4)ACD/BCF (pH 5.5): 422.24; (5)ACD/BCF (pH 7.4): 422.24; (6)ACD/KOC (pH 5.5): 2636.19; (7)ACD/KOC (pH 7.4): 2636.19; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 29.43 Å²; (11)Index of Refraction: 1.543; (12)Molar Refractivity: 45.18 cm³; (13)Molar Volume: 143.1 cm³; (14)Polarizability: 17.91×10^-24cm³; (15)Surface Tension: 37.9 dyne/cm; (16)Density: 1.17 g/cm³; (17)Flash Point: 90.1 °C; (18)Enthalpy of Vaporization: 47.79 kJ/mol; (19)Boiling Point: 241 °C at 760 mmHg; (20)Vapour Pressure: 0.0369 mmHg at 25°C.

Uses of Benzene,1-chloro-3-isocyanato-2-methyl-: it can be used to produce 1,1-dibutyl-3-(3-chloro-2-methyl-phenyl)-urea at ambient temperature. It will need solvent hexane. The yield is about 95%.

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

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cccc(/N=C=O)c1C
(2)InChI: InChI=1/C8H6ClNO/c1-6-7(9)3-2-4-8(6)10-5-11/h2-4H,1H3
(3)InChIKey: NGQMCUWZGVMILT-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C8H6ClNO/c1-6-7(9)3-2-4-8(6)10-5-11/h2-4H,1H3
(5)Std. InChIKey: NGQMCUWZGVMILT-UHFFFAOYSA-N