Methylphosphonothioic dichloride

Base Information

• Chemical Name: Methylphosphonothioic dichloride
• CAS No.: 676-98-2
• Molecular Formula: CH3 Cl2 P S
• Molecular Weight: 148.981
• European Community (EC) Number: 211-636-5
• UN Number: 1760
• DSSTox Substance ID: DTXSID9074270
• Nikkaji Number: J34.669A
• Wikidata: Q72495487
• Mol file: 676-98-2.mol

Synonyms:METHYLPHOSPHONOTHIOIC DICHLORIDE;676-98-2;Phosphonothioic dichloride, methyl-;Methylthiophosphonic dichloride;Methyl phosphonothioic dichloride;Methyldichlorophosphine sulfide;dichloro-methyl-sulfanylidene-lambda5-phosphane;EINECS 211-636-5;Phosphonothioicdichloride, methyl- (6CI,8CI,9CI);METHYLPHOSPHONOTHIOICDICHLORIDE;Methylphosphonothioyl dichloride;CH3Cl2PS;Methylphosphonothiodichloride;C-H3-Cl2-P-S;Dichloromethylphosphine sulfide;SCHEMBL2457758;Methanephosphonothioic dichloride;Methylthionophosphonic dichloride;DTXSID9074270;TUNCWCIKOHOGJX-UHFFFAOYSA-;Phosphine, dichloro-methyl-thioxo-;Methylthiophosphonic acid dichloride;BCP22546;AKOS006229454;dichloro-methyl-sulfanylidene-5-phosphane;FT-0695129;Methyl phosphonous dichloride, pyrophoric liquid;A929884;ETHYLTRANS-2-AMINO-1-CYCLOHEXANECARBOXYLATEHYDROCHLORIDE;Methyl phosphonous dichloride, pyrophoric liquid [NA2845] [Poison]

Chemical Property of Methylphosphonothioic dichloride

Chemical Property:

• Vapor Pressure: 5.05mmHg at 25°C
• Melting Point: -25.5°C
• Refractive Index: n20/D 1.548(lit.)
• Boiling Point: 154-155oC
• Flash Point: 73oC
• PSA: 41.90000
• Density: 1.422 g/mL at 25 °C(lit.)
• LogP: 3.05390
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 147.9070137
• Heavy Atom Count: 5
• Complexity: 64
• Transport DOT Label: Corrosive

Purity/Quality:

99%, ^*data from raw suppliers

METHYLPHOSPHONOTHIOIC DICHLORIDE 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 14-34
• Safety Statements: 26-27-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CP(=S)(Cl)Cl

Technology Process of Methylphosphonothioic dichloride

There total 5 articles about Methylphosphonothioic dichloride 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: 62.2%

methylphosphonic acid dichloroanhydride (676-97-1) → methylphosphonothioic dichloride (676-98-2)

Guidance literature:

With tetraphosphorus decasulfide;

DOI:10.1080/10426509708040496

Reference yield:

methyldichlorophosphane (676-83-5) → methylphosphonothioic dichloride (676-98-2)

Guidance literature:

With aluminium trichloride; sulfur;

DOI:10.1021/ja01548a037

Reference yield:

→ methylphosphonothioic dichloride (676-98-2)

Guidance literature:

With potassium chloride; sulfur;

upstream raw materials:

methylphosphonic acid dichloroanhydride

methyldichlorophosphane

Downstream raw materials:

methyl-thiophosphonic acid-dianilide

C₁₁H₁₃N₂O₂PS

1,3-Bis-(4-chlor-phenyl)-2,4-dimethyl-2,4-dithio-cyclodiphosphazan

C₁₃H₁₉ClNO₂PS

Refernces

• 1、 Saeidian, Hamdollah,Babri, Mehran,Abdoli, Morteza,Sarabadani, Mansour,Ashrafi, Davood,Naseri, Mohammad Taghi. "Microsynthesis and electron ionization mass spectral studies of O(S)-alkyl N,N-dimethyl alkylphosphono(thiolo)thionoamidates for Chemical Weapons Convention verification". . p. 2805 - 2814. Retrieved 2013/01/15.
• 2、 Ohms, Gisela,Treichler, Antje,Grossmann, Gisbert. "DIE STRUKTUR VON ALKYL- UND ARYLPERTHIOPHOSPHONSAEUREANHYDRIDEN IN LOESUNG". . p. 95 - 102. Retrieved 2007/10/02.