2-Chloroethyl ethyl p-nitrophenyl phosphate

Base Information

• Chemical Name: 2-Chloroethyl ethyl p-nitrophenyl phosphate
• CAS No.: 731-04-4
• Molecular Formula: C₁₀H₁₃ClNO₆P
• Molecular Weight: 309.643
• DSSTox Substance ID: DTXSID30993855
• Nikkaji Number: J987.511E
• Mol file: 731-04-4.mol

Synonyms:H.C. 8042 Bis;2-Chloroethyl ethyl p-nitrophenyl phosphate;731-04-4;Phosphoric acid, 2-chloroethyl ethyl p-nitrophenyl ester;C10H13ClNO6P;DTXSID30993855;LS-107548;2-CHLOROETHYL ETHYL 4-NITROPHENYL PHOSPHATE;Phosphoric acid, 2-chloroethyl ethyl 4-nitrophenyl ester;Phosphoric acid ethyl(2-chloroethyl)(4-nitrophenyl) ester

Chemical Property of 2-Chloroethyl ethyl p-nitrophenyl phosphate

Chemical Property:

• Vapor Pressure: 8.94E-06mmHg at 25°C
• Boiling Point: 384.6°Cat760mmHg
• Flash Point: 186.4°C
• PSA: 100.39000
• Density: 1.388g/cm³
• LogP: 3.89680
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 309.0169018
• Heavy Atom Count: 19
• Complexity: 329

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOP(=O)(OCCCl)OC1=CC=C(C=C1)[N+](=O)[O-]

Technology Process of 2-Chloroethyl ethyl p-nitrophenyl phosphate

There total 1 articles about 2-Chloroethyl ethyl p-nitrophenyl phosphate 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:

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + 2-chloroethyl phosphorodichloridate (1455-05-6) + ethanol (64-17-5) → Phosphoric acid 2-chloro-ethyl ester ethyl ester 4-nitro-phenyl ester (731-04-4)

Guidance literature:

With triethylamine; Yield given. Multistep reaction; 1.) PhH, 5-10 deg C, 2 h, 2.) PhH, rt, 2 h;

upstream raw materials:

4-nitro-phenol

2-chloroethyl phosphorodichloridate

ethanol

Refernces