Phosphonochloridic acid, phenyl-, methyl ester

Base Information

• Chemical Name: Phosphonochloridic acid, phenyl-, methyl ester
• CAS No.: 41761-00-6
• Molecular Formula: C7H8 Cl O2 P
• Molecular Weight: 190.566
• Hs Code.: 2931900090
• European Community (EC) Number: 255-539-6
• DSSTox Substance ID: DTXSID70885846
• Nikkaji Number: J278.269C
• Mol file: 41761-00-6.mol

Synonyms:41761-00-6;Methyl phenylchlorophosphonate;Phosphonochloridic acid, phenyl-, methyl ester;Methyl phenylphosphonic chloride;Phosphonochloridic acid, P-phenyl-, methyl ester;EINECS 255-539-6;C7H8ClO2P;C7-H8-Cl-O2-P;methyl(phenyl)phosphonochloridate;SCHEMBL10939815;DTXSID70885846;Phenylphosphonochloridic acid methyl ester

Chemical Property of Phosphonochloridic acid, phenyl-, methyl ester

Chemical Property:

• Vapor Pressure: 0.0431mmHg at 25°C
• Boiling Point: 246.2°C at 760 mmHg
• Flash Point: 104.5°C
• PSA: 36.11000
• Density: 1.26g/cm³
• LogP: 2.39020
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 189.9950442
• Heavy Atom Count: 11
• Complexity: 166

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COP(=O)(C1=CC=CC=C1)Cl

Technology Process of Phosphonochloridic acid, phenyl-, methyl ester

There total 7 articles about Phosphonochloridic acid, phenyl-, methyl 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: 89.3%

P,P-dichlorophenylphosphine oxide (824-72-6) + methanol (67-56-1) → O-methyl phenyl phosphonochloridothioate (41761-00-6)

Guidance literature:

With triethylamine; In benzene; at 20 ℃; for 4h; Inert atmosphere; Cooling with ice;

Reference yield:

dimethyl phenyl phosphate (10113-28-7) → O-methyl phenyl phosphonochloridothioate (41761-00-6)

Guidance literature:

With thionyl chloride; at 75 ℃; for 2h; Inert atmosphere;

Reference yield:

Dichlorophenylphosphine (644-97-3) → O-methyl phenyl phosphonochloridothioate (41761-00-6)

Guidance literature:

Multi-step reaction with 2 steps

1: oxygen / benzene

2: triethylamine / diethyl ether

With oxygen; triethylamine; In diethyl ether; benzene;

DOI:10.1021/ja00397a024

upstream raw materials:

P,P-dichlorophenylphosphine oxide

methanol

phenyl-selenophosphonsaeure-dimethylester

Dichlorophenylphosphine

Downstream raw materials:

methyl phenylphosphonic acid

methyl N,N-(dimethyl)phenylphosphonamidate

methyl N-isopropyl P-phenylphosphonamidate

dimethyl phenylphosphonate