3-Ethoxyphenyl isocyanate

Base Information

• Chemical Name: 3-Ethoxyphenyl isocyanate
• CAS No.: 55792-32-0
• Molecular Formula: C9H9NO2
• Molecular Weight: 163.17
• Hs Code.: 2929109000
• European Community (EC) Number: 623-565-0
• DSSTox Substance ID: DTXSID20552213
• Mol file: 55792-32-0.mol

Synonyms:3-Ethoxyphenyl isocyanate;1-Ethoxy-3-isocyanatobenzene;55792-32-0;3-ETHOXYPHENYL ISOCYANATE 97;1-ethoxy-3-isocyanato-benzene;SCHEMBL1012663;3-Ethoxyphenyl isocyanate, 97%;DTXSID20552213;FWRKFZVKSIEEEB-UHFFFAOYSA-N;AKOS010079087;EN300-272513

Chemical Property of 3-Ethoxyphenyl isocyanate

Chemical Property:

• Vapor Pressure: 0.0324mmHg at 25°C
• Refractive Index: n20/D 1.5330(lit.)
• Boiling Point: 212-213 °C(lit.)
• Flash Point: 207 °F
• PSA: 38.66000
• Density: 1.107 g/mL at 25 °C(lit.)
• LogP: 2.05260
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 163.063328530
• Heavy Atom Count: 12
• Complexity: 175

Purity/Quality:

99%min ^*data from raw suppliers

3-Ethoxyphenyl isocyanate 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38-42
• Safety Statements: 23-26-36-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=CC=CC(=C1)N=C=O

Technology Process of 3-Ethoxyphenyl isocyanate

There total 1 articles about 3-Ethoxyphenyl isocyanate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

phosgene (75-44-5) + m-phenetidine (621-33-0) → 3-ethoxy-phenyl isocyanate (55792-32-0)

Guidance literature:

Reference yield: 81.0%

3-ethoxy-phenyl isocyanate (55792-32-0) → N,N'-bis-(3-ethoxy-phenyl)-urea

Guidance literature:

With sodium hydroxide; In water; for 2h; Heating;

DOI:10.1135/cccc19940495

Reference yield:

3-ethoxy-phenyl isocyanate (55792-32-0) + oxiranyl-methanol (556-52-5) → (3-ethoxy-phenyl)-carbamic acid oxiranylmethyl ester

Guidance literature:

In benzene; at 60 ℃; for 10h;

DOI:10.3797/scipharm.aut-04-24

upstream raw materials:

phosgene

m-phenetidine

Downstream raw materials:

(3-ethoxy-phenyl)-carbamic acid-(2-diethylamino-ethyl ester)

<3-Aethoxy-phenylcarbamoylmercapto>-essigsaeure-methylamid

<3-Aethoxy-phenylcarbamoylmercapto>-essigsaeure-aethylamid

2-<3-Aethoxy-phenylcarbamoylmercapto>-propionsaeure-methylamid