Phosphoric acid, dimethyl 2-chloro-4-nitrophenyl ester

Base Information

• Chemical Name: Phosphoric acid, dimethyl 2-chloro-4-nitrophenyl ester
• CAS No.: 17650-76-9
• Molecular Formula: C₈H₉ClNO₆P
• Molecular Weight: 281.589
• DSSTox Substance ID: DTXSID70879402
• Nikkaji Number: J96.819F
• Wikidata: Q82861506
• ChEMBL ID: CHEMBL349588
• Mol file: 17650-76-9.mol

Synonyms:17650-76-9;(2-chloro-4-nitrophenyl) dimethyl phosphate;Dicapthoxon;Dicapthon-oxon;Phosphoric acid dimethyl 2-chloro-4-nitrophenyl ester;Dicapthon oxon;Phosphoric acid, dimethyl 2-chloro-4-nitrophenyl ester;BAY 62944;BRN 4501136;Dimethyl 2-chloro-4-nitrophenyl phosphate;CHEMBL349588;DTXSID70879402;2-CHLORO-DIMETHYL PARA-OXON

Chemical Property of Phosphoric acid, dimethyl 2-chloro-4-nitrophenyl ester

Chemical Property:

• Vapor Pressure: 0.000213mmHg at 25°C
• Boiling Point: 336.9°Cat760mmHg
• Flash Point: 157.5°C
• PSA: 100.39000
• Density: 1.477g/cm³
• LogP: 3.55110
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 280.9856017
• Heavy Atom Count: 17
• Complexity: 314

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COP(=O)(OC)OC1=C(C=C(C=C1)[N+](=O)[O-])Cl

Technology Process of Phosphoric acid, dimethyl 2-chloro-4-nitrophenyl ester

There total 1 articles about Phosphoric acid, dimethyl 2-chloro-4-nitrophenyl ester 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:

2-chloro-4-nitrophenol (619-08-9) + Dimethyl chlorophosphate (813-77-4) → dicapthon-oxon (17650-76-9)

Guidance literature:

With triethylamine; In acetone; for 0.75h; Ambient temperature;

DOI:10.1021/jo00284a019

Reference yield:

dicapthon-oxon (17650-76-9) → C7H6ClNO6P(1-)*Li(1+)

Guidance literature:

With lithium chloride; In acetone; for 1h; Heating;

DOI:10.1021/jo00284a019

upstream raw materials:

2-chloro-4-nitrophenol

Dimethyl chlorophosphate

Refernces