2-PHENOXYPHENYL ISOCYANATE

This chemical is called Benzene,1-isocyanato-2-phenoxy-, and its systematic name is 1-Isocyanato-2-phenoxybenzene. With the CAS registry number of 59377-20-7, its product categories are Isocyanates; Nitrogen Compounds; Organic Building Blocks. Additionally, it should be stored sealed in the cool and dry place.

Other characteristics of the Benzene,1-isocyanato-2-phenoxy- can be summarised as followings: (1)ACD/LogP: 5.42; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.41; (4)ACD/LogD (pH 7.4): 5.41; (5)ACD/BCF (pH 5.5): 7679.08; (6)ACD/BCF (pH 7.4): 7679.08; (7)ACD/KOC (pH 5.5): 21023; (8)ACD/KOC (pH 7.4): 21023; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 38.66 Å²; (13)Index of Refraction: 1.561; (14)Molar Refractivity: 62.65 cm³; (15)Molar Volume: 193.3 cm³; (16)Polarizability: 24.83×10^-24cm³; (17)Surface Tension: 41.6 dyne/cm; (18)Density: 1.09 g/cm³; (19)Flash Point: 125.1 °C; (20)Enthalpy of Vaporization: 53.2 kJ/mol; (21)Boiling Point: 292.5 °C at 760 mmHg; (22)Vapour Pressure: 0.00182 mmHg at 25°C.

Uses of this chemical: The Benzene,1-isocyanato-2-phenoxy- could react with (1S,2R)-2-methylamino-1-phenyl-propan-1-ol, and obtain the 1-((1R,2S)-2-hydroxy-1-methyl-2-phenylethyl)-1-methyl-3-(2-phenoxyphenyl)urea. This reaction needs the solvent of CH₂Cl₂. The yield is 95 %. In addition, this reaction should be taken for 18 hours at the temperature of 20 °C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing when you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice. 

You can still convert the following datas into molecular structure:
1.SMILES: O=C=N/c2ccccc2Oc1ccccc1
2.InChI: InChI=1/C13H9NO2/c15-10-14-12-8-4-5-9-13(12)16-11-6-2-1-3-7-11/h1-9H
3.InChIKey: KCHQIPPONLLUGU-UHFFFAOYAR