Phenyl N-phenylphosphoramidochloridate

Base Information

• Chemical Name: Phenyl N-phenylphosphoramidochloridate
• CAS No.: 51766-21-3
• Molecular Formula: C12H11 Cl N O2 P
• Molecular Weight: 267.652
• Hs Code.: 2931900090
• European Community (EC) Number: 257-400-5
• DSSTox Substance ID: DTXSID00966071
• Nikkaji Number: J334D
• Mol file: 51766-21-3.mol

Synonyms:phenyl N-phenylphosphoramidochloridate;PPPAC

Chemical Property of Phenyl N-phenylphosphoramidochloridate

Chemical Property:

• Vapor Pressure: 1.53E-05mmHg at 25°C
• Melting Point: 132-134 °C(lit.)
• Boiling Point: 366℃
• Flash Point: 175℃
• PSA: 48.14000
• Density: 1.363
• LogP: 4.59740
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 267.0215933
• Heavy Atom Count: 17
• Complexity: 276

Purity/Quality:

95% ^*data from raw suppliers

Phenyl N-phenylphosphoramidochloridate ≥99% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C=C1)NP(=O)(OC2=CC=CC=C2)Cl

Technology Process of Phenyl N-phenylphosphoramidochloridate

There total 4 articles about Phenyl N-phenylphosphoramidochloridate 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: 70.0%

O-phenyl-N-phenylphosphoramidate (6254-02-0) → Phenyl N-phenylphosphoramidochloridate (51766-21-3)

Guidance literature:

With phosphorus pentachloride; In benzene; for 1h; Ambient temperature;

DOI:10.1055/s-1981-29391

Reference yield: 58.0%

O-phenyl phosphorodichloridate (770-12-7) + aniline (62-53-3) → Phenyl N-phenylphosphoramidochloridate (51766-21-3)

Guidance literature:

In benzene; for 3h; Heating;

DOI:10.1055/s-1982-29783

Reference yield:

phenylamidophosphoric dichloride (6955-57-3) + sodium phenoxide (139-02-6) → Phenyl N-phenylphosphoramidochloridate (51766-21-3)

Guidance literature:

With benzene;

upstream raw materials:

phenylamidophosphoric dichloride

sodium phenoxide

aniline hydrochloride

O-phenyl phosphorodichloridate

Downstream raw materials:

O-phenyl-N-phenylphosphoramidate

N-phenyl O-ethyl O-phenyl phosphoramidate

C₁₆H₁₉N₂O₃P

C₁₈H₂₃N₂O₂P

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