Diethyl (4-aminophenyl)phosphonate - ≥95% , CAS No.42822-57-1

CAS: 42822-57-1 Cat. No.: D303705 Formula: C₁₀H₁₆NO₃P Peso molecolare: 229.21

GRADE & PURITY ≥95%

Synonyms

OIGQTUBEBRLSOX-UHFFFAOYSA-N | SCHEMBL2031067 | A872813 | diethyl 4-aminophenylphosphonate | MFCD00272195 | 4-diethoxyphosphorylaniline | NSC118225 | NSC-118225 | diethyl (4-aminophenyl)phosphonate | DTXSID10297808 | AKOS015962741 | F14031 | AS-61703 | (4-

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinonimi

OIGQTUBEBRLSOX-UHFFFAOYSA-N | SCHEMBL2031067 | A872813 | diethyl 4-aminophenylphosphonate | MFCD00272195 | 4-diethoxyphosphorylaniline | NSC118225 | NSC-118225 | diethyl (4-aminophenyl)phosphonate | DTXSID10297808 | AKOS015962741 | F14031 | AS-61703 | (4-

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Protected from light,Room temperature,Argon charged

Spedito in

Normal

Purezza

≥95%

Nomi e identificatori

• Sorrisi canonici: CCOP(=O)(C1=CC=C(C=C1)N)OCC
• IUPAC Name: 4-diethoxyphosphorylaniline
• InChIKey: OIGQTUBEBRLSOX-UHFFFAOYSA-N
• INCHI: 1S/C10H16NO3P/c1-3-13-15(12,14-4-2)10-7-5-9(11)6-8-10/h5-8H,3-4,11H2,1-2H3
• Isomeri SMILES: CCOP(=O)(C1=CC=C(C=C1)N)OCC
• Peso molecolare: 229.21
• Reaxy-Rn: 2941120
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2941120&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Aniline and substituted anilines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Aniline and substituted anilines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aniline and substituted anilines
• Alternative Parents: Phosphonic acid diesters Phosphonic acid esters Primary amines Organopnictogen compounds Organophosphorus compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aniline or substituted anilines - Phosphonic acid diester - Phosphonic acid ester - Organophosphonic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organophosphorus compound - Organooxygen compound - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety.
• 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

Proprietà chimiche e fisiche

• Punto di infiammabilità (°C): 160.4°C
• Punto di ebollizione (°C): 341.6°C at 760 mmHg
• Peso molecolare: 229.210 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 229.087 Da
• Monoisotopic Mass: 229.087 Da
• Topological Polar Surface Area: 61.600 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 217.000
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature, protected from light, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 42822-57-1, the molecular formula is C10H16NO3P, and the molecular weight is 229.21 g/mol. InChIKey OIGQTUBEBRLSOX-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.