Bis(4-nitrobenzyl) phosphorochloridate

Base Information

• Chemical Name: Bis(4-nitrobenzyl) phosphorochloridate
• CAS No.: 57188-46-2
• Molecular Formula: C₁₄H₁₂ClN₂O₇P
• Molecular Weight: 386.685
• Hs Code.: 2931900090
• European Community (EC) Number: 804-071-6
• DSSTox Substance ID: DTXSID80391660
• Wikidata: Q82189283
• Mol file: 57188-46-2.mol

Synonyms:57188-46-2;BIS(4-NITROBENZYL) PHOSPHOROCHLORIDATE;Bis(p-nitrobenzyl) Phosphorochloridate;1-[[chloro-[(4-nitrophenyl)methoxy]phosphoryl]oxymethyl]-4-nitrobenzene;Bis(p-nitrobenzyl) Phosphorochloridate (Technical grade);SCHEMBL6932050;DTXSID80391660;bis-(p-nitrobenzyl)chlorophosphate;Bis-(p-nitrobenzyl)phosphorochloridate;AKOS030254619;FT-0663350;BIS-(P-NITROBENZYL) PHOSPHOROCHLORIDATE;Bis(p-nitrobenzyl) phosphorochloridate, >=98% (T)

Chemical Property of Bis(4-nitrobenzyl) phosphorochloridate

Chemical Property:

• Vapor Pressure: 8.09E-13mmHg at 25°C
• Melting Point: 107 °C
• Boiling Point: 579.5°C at 760 mmHg
• Flash Point: 304.2°C
• PSA: 136.98000
• Density: 1.517g/cm³
• LogP: 5.62970
• Storage Temp.: 2-8°C
• Solubility.: DMSO (Slightly), Methanol (Slightly, Heated)
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 386.0070654
• Heavy Atom Count: 25
• Complexity: 466

Purity/Quality:

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

Bis(p-nitrobenzyl)Phosphorochloridate(Technicalgrade) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 37/38-41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1COP(=O)(OCC2=CC=C(C=C2)[N+](=O)[O-])Cl)[N+](=O)[O-]

Technology Process of Bis(4-nitrobenzyl) phosphorochloridate

There total 4 articles about Bis(4-nitrobenzyl) phosphorochloridate 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:

phosphoric acid bis-(4-nitro-benzyl ester) (14390-40-0) → chlorophosphoric acid bis-(4-nitro-benzyl ester) (57188-46-2)

Guidance literature:

With chloroform; phosphorus pentachloride;

DOI:10.1021/ja01625a045

Reference yield:

phosphoric acid tris-(4-nitro-benzyl ester) (66777-93-3) → chlorophosphoric acid bis-(4-nitro-benzyl ester) (57188-46-2)

Guidance literature:

Multi-step reaction with 2 steps

1: BaI₂; acetone

2: CHCl₃; PCl₅

With chloroform; phosphorus pentachloride; barium(II) iodide; acetone;

DOI:10.1021/ja01625a045

Reference yield:

di(p-nitrobenzyl) phosphite (65463-54-9) → chlorophosphoric acid bis-(4-nitro-benzyl ester) (57188-46-2)

Guidance literature:

With sulfuryl dichloride; chloroform;

upstream raw materials:

phosphoric acid bis-(4-nitro-benzyl ester)

di(p-nitrobenzyl) phosphite

4-nitrobenzyl chloride

phosphoric acid tris-(4-nitro-benzyl ester)

Downstream raw materials:

Diphosphorsaeure-tetrakis-(4-nitro-benzylester)

phenylcarbamimidoyl-amidophosphoric acid bis-(4-nitro-benzyl ester)

N-[bis-(4-nitro-benzyloxy)-phosphoryl]-glycine methyl ester

Bis-(p-nitro-benzyl)-N-benzolsulfonyl-phosphoramidat