4-Nitrophenyl phosphorodichloridate

Base Information

• Chemical Name: 4-Nitrophenyl phosphorodichloridate
• CAS No.: 777-52-6
• Deprecated CAS: 1257440-96-2
• Molecular Formula: C6H4 Cl2 N O4 P
• Molecular Weight: 255.982
• European Community (EC) Number: 212-289-2
• DSSTox Substance ID: DTXSID8061131
• Nikkaji Number: J102C
• Wikidata: Q72495668
• Mol file: 777-52-6.mol

Synonyms:4-Nitrophenyl phosphorodichloridate;777-52-6;Phosphorodichloridic acid, 4-nitrophenyl ester;1-dichlorophosphoryloxy-4-nitrobenzene;C6H4Cl2NO4P;4-Nitrophenyl dichlorophosphonate;Phosphorodichloridic acid, p-nitrophenyl ester;p-Nitrophenyl phosphorodichloridate;EINECS 212-289-2;SCHEMBL851431;AMY240;DTXSID8061131;4-Nitrophenylphosponic dichloride;C6-H4-Cl2-N-O4-P;4-Nitrophenyl dichloridophosphate #;MFCD00007315;STK371232;AKOS005445787;Dichloridophosphoric acid p-nitrophenyl;4-Nitrophenyl phosphorodichloridate, 98%;FT-0619286;D78095;N-5050;A865163

Chemical Property of 4-Nitrophenyl phosphorodichloridate

Chemical Property:

• Vapor Pressure: 0.000342mmHg at 25°C
• Melting Point: 44-45 °C(lit.)
• Boiling Point: 182-183 °C13 mm Hg(lit.)
• Flash Point: >230 °F
• PSA: 81.93000
• Density: 1.644
• LogP: 4.08250
• Storage Temp.: 2-8°C
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 254.9255000
• Heavy Atom Count: 14
• Complexity: 255

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Nitrophenyl phosphorodichloridate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R34:Causes burns.
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1[N+](=O)[O-])OP(=O)(Cl)Cl
• Uses: 4-Nitrophenyl phosphorodichloridate was used to phosphorylate the derivatized resin.

Technology Process of 4-Nitrophenyl phosphorodichloridate

There total 4 articles about 4-Nitrophenyl phosphorodichloridate 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: 93.0%

4-nitrophenol sodium salt (824-78-2) → 1-dichlorophosphoryloxy-4-nitro-benzene (777-52-6)

Guidance literature:

With tetrabutylammomium bromide; trichlorophosphate; In toluene; for 1h;

Reference yield: 80.0%

→ 1-dichlorophosphoryloxy-4-nitro-benzene (777-52-6)

Guidance literature:

Reference yield: 54.0%

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) → 1-dichlorophosphoryloxy-4-nitro-benzene (777-52-6)

Guidance literature:

With sodium chloride; trichlorophosphate; for 6h; Heating;

DOI:10.1039/P29800000373

upstream raw materials:

4-nitro-phenol

4-(4-nitrophenoxy)butanoic acid

4-nitrophenol sodium salt

Downstream raw materials:

bis-aziridin-1-yl-phosphinic acid-(4-nitro-phenyl ester)

methyl paraoxon

paraoxon

phosphoric acid diisopentyl ester-(4-nitro-phenyl ester)

Refernces

• 1、 -. "Compound for treating metabolic diseases as well as preparation method and application thereof". Paragraph 0098; 0144-0147. . Retrieved 2019/07/04.
• 2、 Dominguez, Maria J.,Sanmartin, Carmen,Font, Maria,Palop, Juan A.,San Francisco, Sara,Urrutia, Oscar,Houdusse, Fabrice,Garcia-Mina, Jose M.. "Design, synthesis, and biological evaluation of phosphoramide derivatives as urease inhibitors". scheme or table. p. 3721 - 3731. Retrieved 2010/03/05.