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28439-86-3

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Basic Information
CAS No.: 28439-86-3
Name: 4-N-BUTOXYPHENYL ISOCYANATE
Article Data: 2
Molecular Structure:
Molecular Structure of 28439-86-3 (4-N-BUTOXYPHENYL ISOCYANATE)
Formula: C11H13NO2
Molecular Weight: 191.23
Synonyms: 1-Butoxy-4-isocyanatobenzene;Butyl 4-isocyanatophenyl ether;Benzene, 1-butoxy-4-isocyanato-;
Density: 1.055
Boiling Point: 150 oC
Flash Point: 113 oC
Hazard Symbols: HarmfulXn
Risk Codes: R20/21/22;R36/37/38
Safety: S23;S26;S36
PSA: 38.66000
LogP: 2.83280
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Specification

The 4-Butoxyphenyl isocyanate with the cas number 28439-86-3 is also called 1-Butoxy-4-isocyanatobenzene. The 4-Butoxyphenyl isocyanate belongs to the following product categories: (1)Isocyanates; (2)Nitrogen Compounds; (3)Organic Building Blocks.This product can be supplied by the following suppliers :(1)Shanghai Apichemical Co., Ltd.; (2)Shanghai Boka-chem Tech. Inc.etc..

The properties of the 4-Butoxyphenyl isocyanate are: (1)#H bond acceptors: 3; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 5; (4)Polar Surface Area: 38.66Å2; (5)Index of Refraction: 1.503; (6)Molar Refractivity: 55.79 cm3; (7)Molar Volume: 188.7 cm3; (8)Polarizability: 22.12×10-24cm3; (9)Surface Tension: 35.6 dyne/cm;(10)Enthalpy of Vaporization: 51.31 kJ/mol; (11)Vapour Pressure: 0.00533 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: (1)Harmful by inhalation, in contact with skin and if swallowed; (2)Irritating to eyes, respiratory system and skin; (3)Do not breathe vapour; (4)In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. ; (5)Wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C=N\c1ccc(OCCCC)cc1
(2)InChI: InChI=1/C11H13NO2/c1-2-3-8-14-11-6-4-10(5-7-11)12-9-13/h4-7H,2-3,8H2,1H3