Diethyl (Ethoxymethyl)phosphonate - ≥98%(GC) , CAS No.10419-80-4

CAS: 10419-80-4 Cat. No.: D155185 分子式: C₇H₁₇O₄P 分子量: 196.18 EC番号: 811-813-2

GRADE & PURITY ≥98%(GC)

Synonyms

D90365 | D5095 | Diethyl(ethoxymethyl)phosphonate | DTXSID60520370 | Diethyl (ethoxymethyl)phosphonate | MFCD00137939 | (Ethoxymethyl)phosphonic acid diethyl ester | diethyl ethoxymethylphosphonate | Phosphonic acid, (ethoxymethyl)-, diethyl ester | SCHEM

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

D90365 | D5095 | Diethyl(ethoxymethyl)phosphonate | DTXSID60520370 | Diethyl (ethoxymethyl)phosphonate | MFCD00137939 | (Ethoxymethyl)phosphonic acid diethyl ester | diethyl ethoxymethylphosphonate | Phosphonic acid, (ethoxymethyl)-, diethyl ester | SCHEM

仕様と純度

≥98%(GC)

保管条件

Room temperature

入荷

Normal

純度

≥98%(GC)

名前と識別子

カノニカル・スマイル

CCOCP(=O)(OCC)OCC

IUPAC Name

1-(diethoxyphosphorylmethoxy)ethane

InChIKey

PELDURRTQRGRMV-UHFFFAOYSA-N

INCHI

1S/C7H17O4P/c1-4-9-7-12(8,10-5-2)11-6-3/h4-7H2,1-3H3

異性体SMILES

CCOCP(=O)(OCC)OCC

分子量

196.18

Reaxy-Rn

1812233

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1812233&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 分類 Organic phosphonic acids and derivatives
      • Subclass Phosphonic acid diesters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 分類: Organic phosphonic acids and derivatives
• Subclass: Phosphonic acid diesters
• Intermediate Tree Nodes: Not available
• Direct Parent: Dialkyl alkylphosphonates
• Alternative Parents: Phosphonic acid esters Organophosphorus compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dialkyl alkylphosphonate - Phosphonic acid ester - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organophosphorus compound - Organooxygen compound - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as dialkyl alkylphosphonates. These are compounds containing a phosphonic acid that is diesterified with alkyl groups, and the phosphorus atom is also directly attached to an alkyl 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

化学的性質と物理的性質

• 屈折率: 1.42
• 引火点（°C）: 113 °C
• 沸点（°C）: 103°C/10mmHg(lit.)
• 分子量: 196.180 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 196.086 Da
• Monoisotopic Mass: 196.086 Da
• Topological Polar Surface Area: 44.800 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 138.000
• 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

よくある質問

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 10419-80-4, the molecular formula is C7H17O4P, and the molecular weight is 196.18 g/mol. InChIKey PELDURRTQRGRMV-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.