Diethyl Phenylphosphonate - ≥96%(GC) , CAS No.1754-49-0

CAS: 1754-49-0 Cat. No.: D155822 分子式: C₁₀H₁₅O₃P 分子量: 214.2 Beilstein Registry Number: 16791 EC番号: 677-803-3

グレード＆純度 ≥96%(GC)

Synonyms

DTXSID50169979 | diethoxyphosphorylbenzene | diethoxyphosphoryl-benzene | InChI=1/C10H15O3P/c1-3-12-14(11,13-4-2)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H | Benzenephosphonic acid, diethyl ester | SCHEMBL358474 | AS-65270 | AKOS015917404 | BRN 2449931 | P0335 | WL

Storage

Room temperature

Shipped In

Normal

仕様

同義語

DTXSID50169979 | diethoxyphosphorylbenzene | diethoxyphosphoryl-benzene | InChI=1/C10H15O3P/c1-3-12-14(11,13-4-2)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H | Benzenephosphonic acid, diethyl ester | SCHEMBL358474 | AS-65270 | AKOS015917404 | BRN 2449931 | P0335 | WL

仕様と純度

≥96%(GC)

保管条件

Room temperature

入荷

Normal

純度

≥96%(GC)

名前と識別子

パブケム・シド

488182156

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488182156

カノニカル・スマイル

CCOP(=O)(C1=CC=CC=C1)OCC

IUPAC Name

diethoxyphosphorylbenzene

InChIKey

VZEGPPPCKHRYGO-UHFFFAOYSA-N

INCHI

1S/C10H15O3P/c1-3-12-14(11,13-4-2)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3

異性体SMILES

CCOP(=O)(C1=CC=CC=C1)OCC

RTECS

TA0377000

分子量

214.2

Beilstein

16791

Reaxy-Rn

2449931

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2449931&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: Phosphonic acid diesters
• Alternative Parents: Phosphonic acid esters Benzene and substituted derivatives Organopnictogen compounds Organophosphorus compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phosphonic acid diester - Benzenoid - Phosphonic acid ester - Monocyclic benzene moiety - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organophosphorus compound - Organooxygen compound - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as phosphonic acid diesters. These are organophosphorus compounds containing a diester derivative of phosphonic acid, with the general structure ROP(=O)OR' (R,R' = 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

作用メカニズム

化学的性質と物理的性質

• 屈折率: 1.49
• 沸点（°C）: 267°C(lit.)
• 分子量: 214.200 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 214.076 Da
• Monoisotopic Mass: 214.076 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 190.000
• 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 ≥96% 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 1754-49-0, the molecular formula is C10H15O3P, and the molecular weight is 214.2 g/mol. InChIKey VZEGPPPCKHRYGO-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.