Phosphorodichloridic acid, 2-(chloromethyl)-4-nitrophenyl ester

Base Information

• Chemical Name: Phosphorodichloridic acid, 2-(chloromethyl)-4-nitrophenyl ester
• CAS No.: 23561-36-6
• Molecular Formula: C7H5 Cl3 N O4 P
• Molecular Weight: 304.4517
• Hs Code.: 2931900090
• DSSTox Substance ID: DTXSID0066909
• Nikkaji Number: J422.119B
• Wikidata: Q81993490
• Mol file: 23561-36-6.mol

Synonyms:23561-36-6;Phosphorodichloridic acid, 2-(chloromethyl)-4-nitrophenyl ester;2-(chloromethyl)-1-dichlorophosphoryloxy-4-nitrobenzene;C7H5Cl3NO4P;SCHEMBL9067213;DTXSID0066909;C7-H5-Cl3-N-O4-P;Dichloridophosphoric acid 2-(chloromethyl)-4-nitrophenyl ester

Chemical Property of Phosphorodichloridic acid, 2-(chloromethyl)-4-nitrophenyl ester

Chemical Property:

• Vapor Pressure: 1.66E-06mmHg at 25°C
• Boiling Point: 408.4°Cat760mmHg
• Flash Point: 200.8°C
• PSA: 81.93000
• Density: 1.66g/cm³
• LogP: 4.82130
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 302.902178
• Heavy Atom Count: 16
• Complexity: 305

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1[N+](=O)[O-])CCl)OP(=O)(Cl)Cl

Technology Process of Phosphorodichloridic acid, 2-(chloromethyl)-4-nitrophenyl ester

There total 2 articles about Phosphorodichloridic acid, 2-(chloromethyl)-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-hydroxy-5-nitrobenzyl chloride (2973-19-5) → 2-Chlormethyl-4-nitro-phenyl-phosphorodichloridat (23561-36-6)

Guidance literature:

With potassium chloride; trichlorophosphate;

DOI:10.1021/ja01044a037

Reference yield:

→ 2-Chlormethyl-4-nitro-phenyl-phosphorodichloridat (23561-36-6)

Guidance literature:

2-(Chlormethyl)-4-nitrophenol , POCl3;

Reference yield:

2-Chlormethyl-4-nitro-phenyl-phosphorodichloridat (23561-36-6) → phosphoric acid mono-(2-chloromethyl-4-nitro-phenyl) ester (23562-61-0)

Guidance literature:

With water; In acetone;

DOI:10.1246/bcsj.48.1524

upstream raw materials:

2-hydroxy-5-nitrobenzyl chloride

Downstream raw materials:

thiophosphoric acid O-(2-chloromethyl-4-nitro-phenyl) ester S-pentyl ester

phosphoric acid mono-(2-chloromethyl-4-nitro-phenyl) ester

Bis-(β'-chlorethyl)-2-chlormethyl-4-nitrophenylphosphat

Phosphoric acid 2-chloromethyl-4-nitro-phenyl ester cyclohexyl ester pentyl ester