Basic information
- CAS
107-56-2- Standard SMILES
CC(C)OP(=S)(S)OC(C)C- InChIKey
SZXCCXFNQHQRGF-UHFFFAOYSA-N- Molecular formula
- C6H15O2PS2
- Average molar mass
- 214.3 g/mol
- Monoisotopic mass
- 214.02510906
Overview
structure given in first source
Names & identifiers
- Preferred name
- O,O-Bis(1-methylethyl) phosphorodithioate
- IUPAC
- di(propan-2-yloxy)-sulfanyl-sulfanylidene-λ5-phosphane
- English name
- O,O-diisopropyl hydrogen dithiophosphate
- Molecular formula
- C6H15O2PS2
- Molecular weight
- 214.29
Names & synonyms
O,O-DIISOPROPYL DITHIOPHOSPHATE107-56-2Diisopropyl phosphorodithioateAerofloat 211O,O-Diisopropyl hydrogen phosphorodithioateO,O-Diisopropyl phosphorodithioateO,O-Diisopropylphosphorodithioic acidO,O-Diisopropyl dithiophosphoric acidO,O-Diisopropyl hydrogen phophorothioateO,O-Bis(1-methylethyl) phosphorodithioatePhosphorodithioic acid, O,O-bis(1-methylethyl) esterY276QJZ4VK
Show more names
NSC15258Bensulide Impurity 3isopropyl phosphorodithioateDithiophosphoric acid diisopropyl esterPhosphorodithioic acid O,O-diisopropyl ester
Phosphorodithioic acid, O,O-diisopropyl esterCP 41348NSC-15258J182.222ERefChem:167052203-503-5Isopropyl aerofloatO,O-Diisopropyl hydrogen dithiophosphate
Database identifiers
- CAS
107-56-2
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 145
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Organophosphates, Other
Physicochemical properties
- Melting point
- 193 °C · 193 °C
- Boiling point
- 96 · 96-97 °C(Press: 7 Torr)
- Density
- 1.0921 g/cm3 · 1.0921 g/cm3
- storage temp.
- Refrigerator
- solubility
- Chloroform; Dichloromethane; Ethyl Acetate
- form
- Oil
- pka
- -0.1 · -0.10±0.38(Predicted)
- color
- Colourless
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 276 QJZ4VK · Y276QJZ4VK
- EPA Substance Registry System
- Phosphorodithioic acid, O,O-bis(1-methylethyl) ester (107-56-2)
- Symbol(GHS)
- 7 · GHS07,GHS09,GHS05
- Signal word
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 108 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Phosphorodithioic acid, O,O-bis(1-methylethyl) ester
REACH registered substance: O,O-diisopropyl hydrogen dithiophosphate (EC: 203-503-5)
Hazards SummaryCaused necrosis to mouse tails when immersed; Transient irritation in rabbit eyes; Emergency treatment: Acids; [HSDB] Causes somnolence, muscle weakness, and changes in respiration in lethal-dose feeding studies of mice; [RTECS]
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Toxicology
Adverse EffectsNeurotoxin - Other CNS neurotoxin
Non-Human Toxicity ExcerptsACUTE ORAL LD50 OF ISOPROPYL AEROFLOAT FOR RATS WAS 1817 MG/KG. IMMERSION OF MOUSE TAILS IN ISOPROPYL AEROFLOAT CAUSED NECROSIS. COMPD ALSO CAUSED TRANSIENT IRRITATION OF RABBIT EYES.
Safety data
Chemistry & industry
Uses & manufacturing
Uses
Used as mining flotation reagents (promotes frothing); [HSDB]
Metal Extraction and Refining [Category: Industry]
Formulations/Preparations"AEROFLOAT" TRADEMARK FOR ARYL DITHIOPHOSPHORIC ACIDS (LIQ) & ALKYL DITHIOPHOSPHORIC ACID SALTS (SOLIDS) USED AS MINING FLOTATION REAGENTS TO PROMOTE FROTHING PROPERTIES. /AEROFLOAT/
General Manufacturing InformationPhosphorodithioic acid, O,O-bis(1-methylethyl) ester: ACTIVE
Applications
UsesO,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.
Suppliers3 total
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
Related reactions
2 records
Compound notes
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