O,O-Diisopropyl dithiophosphate

Base Information

• Chemical Name: O,O-Diisopropyl dithiophosphate
• CAS No.: 107-56-2
• Deprecated CAS: 32474-89-8,39384-04-8,2577322-36-0,39384-04-8
• Molecular Formula: C6H15 O2 P S2
• Molecular Weight: 214.29
• Hs Code.: 2931900090
• European Community (EC) Number: 203-503-5
• NSC Number: 15258
• UNII: Y276QJZ4VK
• DSSTox Substance ID: DTXSID3026770
• Nikkaji Number: J182.222E
• Wikidata: Q27294164
• Mol file: 107-56-2.mol

Synonyms:O,O-diisopropyl dithiophosphate;O,O-diisopropyl dithiophosphate, antimony salt;O,O-diisopropyl dithiophosphate, copper salt;O,O-diisopropyl dithiophosphate, potassium salt;O,O-diisopropyl dithiophosphate, sodium salt;O,O-diisopropyl dithiophosphate, zinc salt

Chemical Property of O,O-Diisopropyl dithiophosphate

Chemical Property:

• Vapor Pressure: 0.0122mmHg at 25°C
• Melting Point: 193 °C
• Boiling Point: 257.1°Cat760mmHg
• PKA: -0.10±0.38(Predicted)
• Flash Point: 109.3°C
• PSA: 99.16000
• Density: 1.145g/cm³
• LogP: 3.64130
• Storage Temp.: Refrigerator
• Solubility.: Chloroform; Dichloromethane; Ethyl Acetate
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 214.02510906
• Heavy Atom Count: 11
• Complexity: 145

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Organophosphates, Other
• Canonical SMILES: CC(C)OP(=S)(OC(C)C)S
• Uses: O,O-Diisopropyl Dithiophosphate is an intermediate in the synthesis of Bensulide (B166000), which is an organophosphate acetylcholinesterase inhibitor used as an herbicide (1) in the protection of crops through pesticides (2). Drinking water contaminant candidate list 3 (CCL 3) compound as per United States Environmental Protection Agency (EPA), environmental, and food contaminants.

Technology Process of O,O-Diisopropyl dithiophosphate

There total 9 articles about O,O-Diisopropyl dithiophosphate 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: 98.7%

→ O,O-diisopropyl hydrogen phosphorodithioate (107-56-2)

Guidance literature:

Reference yield: 92.0%

aniline (62-53-3) + tris(diisopropoxyphosphinothioylthio)-s-triazine (105526-48-5) → (dianilino-s-triazinyl)phenylammonium O,O-diisopropyl Phosphorodithioate + O,O-diisopropyl hydrogen phosphorodithioate (107-56-2)

Guidance literature:

In diethyl ether; for 72h; Ambient temperature;

Reference yield: 90.0%

isopropyl alcohol (67-63-0,8013-70-5) → O,O-diisopropyl hydrogen phosphorodithioate (107-56-2)

Guidance literature:

With tetraphosphorus decasulfide; In chloroform; at 60 ℃; for 1h;

upstream raw materials:

isopropyl alcohol

O,O-dimethyl phosphorodithioic acid

aniline

tris(diisopropoxyphosphinothioylthio)-s-triazine

Downstream raw materials:

O,O,S-triisopropyl phosphorodithioate

disulfidothiophosphoric acid O,O'-diisopropyl ester-S-S-(2-nitro-phenyl ester)

dithiophosphoric acid O,O'-diisopropyl ester-S-phenethyl ester

bis(O,O-diisopropoxyphosphinothioyl)disulfide

Refernces

• 1、 Chu, Po-Jen,Potrzebowski, Marek J.. "13C and 31P Solid-State NMR Studies of Bis(dialkoxythiophosphoryl) Disulfides". . p. 477 - 485. Retrieved 1990.
• 2、 Nizamov, Ilyas S.,Shamilov, Radik R.,Salikhov, Ramazan Z.,Nizamov, Ilnar D.,Khodyrev, Yuriy P.,Batyeva, Elvira S.. "Long-chain alkyl esters of O,O-dialkyl dithiophosphoric and thionophosphoric acids prepared on the basis of red phosphorus, elemental sulfur, alcohols, and industrial fractions of higher monoolefins". . p. 484 - 493. Retrieved 2015/05/20.