3 4-DIMETHOXYPHENYL ISOCYANATE 98

The Benzene,4-isocyanato-1,2-dimethoxy-, with the CAS registry number 37527-66-5, has the systematic name and IUPAC name of 4-isocyanato-1,2-dimethoxybenzene. It belongs to the following product categories: Isocyanates; Nitrogen Compounds; Organic Building Blocks. And the molecular formula of the chemical is C₉H₉NO₃.

The characteristics of Benzene,4-isocyanato-1,2-dimethoxy- are as followings: (1)ACD/LogP: 2.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.42; (4)ACD/LogD (pH 7.4): 2.42; (5)ACD/BCF (pH 5.5): 40.89; (6)ACD/BCF (pH 7.4): 40.89; (7)ACD/KOC (pH 5.5): 495.72; (8)ACD/KOC (pH 7.4): 495.72; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 47.89 Å²; (13)Index of Refraction: 1.501; (14)Molar Refractivity: 47.78 cm³; (15)Molar Volume: 162.1 cm³; (16)Polarizability: 18.94×10^-24cm³; (17)Surface Tension: 35.4 dyne/cm; (18)Density: 1.1 g/cm³; (19)Flash Point: 124.4 °C; (20)Enthalpy of Vaporization: 50.81 kJ/mol; (21)Boiling Point: 270 °C at 760 mmHg; (22)Vapour Pressure: 0.00703 mmHg at 25°C. 

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin, and it is also harmful by inhalation, in contact with skin and if swallowed. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer). 

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C=N\c1cc(OC)c(OC)cc1
(2)InChI: InChI=1/C9H9NO3/c1-12-8-4-3-7(10-6-11)5-9(8)13-2/h3-5H,1-2H3
(3)InChIKey: NYTBFFZQIRSGLL-UHFFFAOYAM