O,O′-Diethyl dithiophosphate - ≥90% , CAS No.298-06-6

CAS: 298-06-6 Cat. No.: D106545 Peso molecular: 186.23 Beilstein Registry Number: 507407 Número EC: 206-055-9

GRADE & PURITY ≥90%

Synonyms

BBL027484 | dithiophosphoric acid-O,O-diethylester | Diethyl dithiophosphate | Dithiophosphoric acid,O-diethyl ester | O,O-Diethyldithiophosphoric acid | O,O'-Diethyl dithiophosphate, technical grade, 90% | O,O-Diethyl phosphorodithioic acid | Phosphorodi

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

BBL027484 | dithiophosphoric acid-O, O-diethylester | Diethyl dithiophosphate | Dithiophosphoric acid, O-diethyl ester | O, O-Diethyldithiophosphoric acid | O, O'-Diethyl dithiophosphate, technical grade, 90% | O, O-Diethyl phosphorodithioic acid | Phosphorodi

Especificaciones y pureza

≥90%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥90%

Nombres e identificadores

• Sonrisas canónicas: CCOP(=S)(OCC)S
• IUPAC Name: diethoxy-sulfanyl-sulfanylidene-λ5-phosphane
• InChIKey: IRDLUHRVLVEUHA-UHFFFAOYSA-N
• INCHI: 1S/C4H11O2PS2/c1-3-5-7(8,9)6-4-2/h3-4H2,1-2H3,(H,8,9)
• Isómeros SMILES: CCOP(=S)(OCC)S
• WGK Alemania: 3
• RTECS: TD7350000
• Número ONU: 3265
• Peso molecular: 186.23
• Beilstein: 507407
• Reaxy-Rn: 507407
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=507407&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Organic dithiophosphoric acids and derivatives
      • Subclass Dithiophosphate O-esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Organic dithiophosphoric acids and derivatives
• Subclass: Dithiophosphate O-esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Phosphorodithioic acid O,O-diesters
• Alternative Parents: Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Phosphorodithioic acid o,o-diester - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phosphorodithioic acid o,o-diesters. These are organooxygen compounds that contain a phosphorodithioic acid, which is O,O-disubstituted by an organyl group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in water.
• Índice de refracción: 1.512
• Punto de inflamación (°F): 82℃
• Punto de inflamación (°C): 82℃
• Punto de ebullición (°C): 60°C
• Peso molecular: 186.200 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 185.994 Da
• Monoisotopic Mass: 185.994 Da
• Topological Polar Surface Area: 51.600 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 107.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Referencias

1. Yanan Ning, Kai Li, Zekun Zhao, Dong Chen, Yifan Li, Yijie Liu, Qipeng Yang, Bo Jiang.  (2021)  Simultaneous electrochemical degradation of organophosphorus pesticides and recovery of phosphorus: Synergistic effect of anodic oxidation and cathodic precipitation.  Journal of the Taiwan Institute of Chemical Engineers,      [PMID:] [10.1016/j.jtice.2021.06.039]

2. Lili Zhu, Gaiqing Zhao, Xiaobo Wang.  (2016)  Investigation on three oil-miscible ionic liquids as antiwear additives for polyol esters at elevated temperature.  TRIBOLOGY INTERNATIONAL,      [PMID:] [10.1016/j.triboint.2016.10.032]

3. Xiaoxia Feng, Wenzhuo Xu, Xiaomeng Ji, Jiefeng Liang, Xiaoyun Liu, Xueke Liu, Chunguang Liu, Guangbo Qu, Runzeng Liu.  (2024)  First Evidence of Novel Organothiophosphate Esters as Prevalent New Pollutants in Dust from Automotive Repair Shops Discovered by High-Resolution Mass Spectrometry.  ENVIRONMENTAL SCIENCE & TECHNOLOGY,      [PMID:39582259] [10.1021/acs.est.4c09683]

4. Xiaoxia Feng, Zihan Wang, Wenzhuo Xu, Yuna Li, Youcai Zhu, Bao Zhu, Chengyong He, Runzeng Liu.  (2026)  Dithiophosphates: Ubiquitous Emerging Pollutants in Dust from Auto Repair Shops Revealed by Suspect and Nontarget Screening.  Environmental Science & Technology Letters,      [PMID:] [10.1021/acs.estlett.5c01229]