CAS No.32459-62-4,4-ETHOXYPHENYL ISOCYANATE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	32459-62-4
Name:	4-ETHOXYPHENYL ISOCYANATE
Article Data:	7

Formula:	C₉H₉NO₂
Molecular Weight:	163.176
Synonyms:	Isocyanicacid, p-ethoxyphenyl ester (6CI,7CI,8CI);Phenetole, p-isocyanato- (5CI);1-Ethoxy-4-isocyanatobenzene;4-Ethoxy-1-isocyanatobenzene;4-Ethoxyphenylisocyanate;p-Ethoxyphenyl isocyanate;
Density:	1.11 g/mL at 25 °C(lit.)
Melting Point:	61 °C(Solv: ethanol (64-17-5))
Boiling Point:	239.5 °C at 760mmHg
Flash Point:	104.6 °C
Appearance:	irritable\colorless liquid
Hazard Symbols:	Xn
Risk Codes:	20/21/22-36/37/38
Safety:	7-26-27-37/39
Transport Information:	UN 2206
PSA:	38.66000
LogP:	2.05260

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Specification

This chemical is called Benzene,1-ethoxy-4-isocyanato-, and its systematic name is 1-ethoxy-4-isocyanatobenzene. With the molecular formula of C₉H₉NO₂, its molecular weight is 163.17. The CAS registry number of this chemical is 32459-62-4. Additionally, its product categories are Phenetole; Isocyanates; Nitrogen Compounds; Organic Building Blocks. This chemical is sensitive to water, so it should be kept in the cool and dry place where the room is ventilated.

Other characteristics of the chemical can be summarised as followings: (1)ACD/LogP: 2.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.93; (4)ACD/LogD (pH 7.4): 2.93; (5)ACD/BCF (pH 5.5): 99.77; (6)ACD/BCF (pH 7.4): 99.77; (7)ACD/KOC (pH 5.5): 938.62; (8)ACD/KOC (pH 7.4): 938.62; (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)Polarizability: 18.46×10^-24cm³; (17)Surface Tension: 36.3 dyne/cm; (18)Density: 1.11 g/mL at 25 °C(lit.); (19)Flash Point: 104.6 °C; (20)Enthalpy of Vaporization: 47.64 kJ/mol; (21)Boiling Point: 239.5 °C at 760 mmHg; (22)Vapour Pressure: 0.0399 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is harmful by inhalation, in contact with skin and if swallowed, so you should wear suitable protective clothing to avoid contacting with skin and eyes. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice. If you were splashed by this chemical, take off all contaminated clothing immediately. What's more, in order to avoid long-term adverse effects in the aquatic environment, please keep container tightly closed.

You can still convert the following datas into molecular structure:
1.SMILES: O=C=N/c1ccc(OCC)cc1
2.InChI: InChI=1/C9H9NO2/c1-2-12-9-5-3-8(4-6-9)10-7-11/h3-6H,2H2,1H3
3.InChIKey: FMYVTFRADSNGDN-UHFFFAOYAO
4.Std. InChI: InChI=1S/C9H9NO2/c1-2-12-9-5-3-8(4-6-9)10-7-11/h3-6H,2H2,1H
5.Std. InChIKey: FMYVTFRADSNGDN-UHFFFAOYSA-N