Chloro-bis(3-methylphenoxy)-sulfanylidene-lambda5-phosphane

Base Information

• Chemical Name: Chloro-bis(3-methylphenoxy)-sulfanylidene-lambda5-phosphane
• CAS No.: 81532-96-9
• Molecular Formula: C14H14 Cl O2 P S
• Molecular Weight: 312.7515
• NSC Number: 202823
• DSSTox Substance ID: DTXSID00308250
• Wikidata: Q82056033
• Mol file: 81532-96-9.mol

Synonyms:NSC202823;81532-96-9;SCHEMBL5850509;DTXSID00308250;NSC-202823

Chemical Property of Chloro-bis(3-methylphenoxy)-sulfanylidene-lambda5-phosphane

Chemical Property:

• Vapor Pressure: 3.86E-06mmHg at 25°C
• Boiling Point: 396.6°Cat760mmHg
• Flash Point: 193.7°C
• Density: 1.296g/cm³
• XLogP3: 6.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 312.0140656
• Heavy Atom Count: 19
• Complexity: 311

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC=C1)OP(=S)(OC2=CC=CC(=C2)C)Cl

Technology Process of Chloro-bis(3-methylphenoxy)-sulfanylidene-lambda5-phosphane

There total 3 articles about Chloro-bis(3-methylphenoxy)-sulfanylidene-lambda5-phosphane 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: 53.0%

3-methyl-phenol (108-39-4) → chlorothiophosphoric acid O,O'-di-m-tolyl ester (81532-96-9)

Guidance literature:

With trichlorothiophosphine; sodium hydroxide; tetrabutylammomium bromide; In dichloromethane; for 2h; Heating;

DOI:10.1002/adsc.200606128

Reference yield:

bis(m-tolyl) chlorophosphite (21719-86-8) → chlorothiophosphoric acid O,O'-di-m-tolyl ester (81532-96-9)

Guidance literature:

With sulfur; at 175 ℃;

Reference yield:

bis(m-tolyl) chlorophosphite (21719-86-8) → chlorothiophosphoric acid O,O'-di-m-tolyl ester (81532-96-9) + thiophosphoric acid O,O',O''-tri-m-tolyl ester (597-81-9)

Guidance literature:

With aluminium trichloride; sulfur; at 180 ℃;

upstream raw materials:

bis(m-tolyl) chlorophosphite

3-methyl-phenol