2-ETHOXYPHENYL ISOCYANATE

The Benzene,1-ethoxy-2-isocyanato-, with the CAS registry number 5395-71-1, is also known as o-Ethoxyphenyl isocyanate and 2-Ethoxybenzenisocyanate. It belongs to the product categories of Isocyanates; Nitrogen Compounds; Organic Building Blocks. This chemical's molecular formula is C₉H₉NO₂ and molecular weight is 163.1733. What's more, both its IUPAC name and systematic name are the same which is called 1-Ethoxy-2-isocyanatobenzene. Its appearance is clear light yellow liquid.

Physical properties about this chemical are: (1)ACD/LogP: 3.87; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.87; (4)ACD/LogD (pH 7.4): 3.87; (5)ACD/BCF (pH 5.5): 514.18; (6)ACD/BCF (pH 7.4): 514.18; (7)ACD/KOC (pH 5.5): 3035.41; (8)ACD/KOC (pH 7.4): 3035.41; (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: 1.507; (14)Molar Refractivity: 46.58 cm³; (15)Molar Volume: 156.4 cm³; (16)Surface Tension: 36.3 dyne/cm; (17)Density: 1.04 g/cm³; (18)Flash Point: 102.2 °C; (19)Enthalpy of Vaporization: 46.58 kJ/mol; (20)Boiling Point: 229.2 °C at 760 mmHg; (21)Vapour Pressure: 0.0703 mmHg at 25 °C.

Uses of Benzene,1-ethoxy-2-isocyanato-: it is used to produce other chemicals. For example, it is used to produce (2-Ethoxy-phenyl)-carbamic acid 5-hydroxy-4-oxo-4H-pyran-2-ylmethyl ester.

The reaction occurs with solvent Xylene and other condition of heating for 23 hours. The yield is 73%.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. It may cause damage to health at low levels and destroy living tissue on contact. Therefore, you should wear suitable protective clothing. And in case of contact with eyes, you should 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\c1ccccc1OCC
(2) InChI: InChI=1/C9H9NO2/c1-2-12-9-6-4-3-5-8(9)10-7-11/h3-6H,2H2,1H3
(3) InChIKey: BUIQXUQLYZPMLS-UHFFFAOYAR