Diethyl cyanophosphonate(DEPC) - ≥90% , CAS No.2942-58-7

CAS: 2942-58-7 Cat. No.: D102845 Formule: C₅H₁₀NO₃P Poids moléculaire: 163.11 Beilstein Registry Number: 1768938 Numéro CE: 220-936-5

GRADE & PURITY ≥90%

Synonyms

DEPC | 4-03-00-00265 (Beilstein Handbook Reference) | diethyl cyanoposphonate | Cyanophosphonic Acid Diethyl Ester | diethylphosphoro cyanidate | Diethyl cyanophosphonate, 90% | Phosphorocyanidic acid, O,O-diethyl ester | Diethylcyanophosphonate | diethyl

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Vue d’ensemble

Usually used as coupling reagent for peptide synthesis,reagent for the phosphorylation of phenols.And also used as activating agent for fluorescent derivatization of carboxylic acids which allows separation by HPLC. 

Specifications

Synonymes

DEPC | 4-03-00-00265 (Beilstein Handbook Reference) | diethyl cyanoposphonate | Cyanophosphonic Acid Diethyl Ester | diethylphosphoro cyanidate | Diethyl cyanophosphonate, 90% | Phosphorocyanidic acid, O,O-diethyl ester | Diethylcyanophosphonate | diethyl

Spécifications et pureté

≥90%

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥90%

Noms et identifiants

Pubchem Sid

508814440

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508814440

Sourires canoniques

CCOP(=O)(C#N)OCC

IUPAC Name

diethoxyphosphorylformonitrile

InChIKey

ZWWWLCMDTZFSOO-UHFFFAOYSA-N

INCHI

1S/C5H10NO3P/c1-3-8-10(7,5-6)9-4-2/h3-4H2,1-2H3

Isomères SMILES

CCOP(=O)(C#N)OCC

WGK Allemagne

3

RTECS

TD2500000

Numéro ONU

2922

Poids moléculaire

163.11

Beilstein

1768938

Reaxy-Rn

1768938

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1768938&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Organic phosphonic acids and derivatives
• Subclass: Phosphonic acid diesters
• Intermediate Tree Nodes: Not available
• Direct Parent: Phosphonic acid diesters
• Alternative Parents: Phosphonic acid esters Organopnictogen compounds Organophosphorus compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Phosphonic acid diester - Phosphonic acid ester - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organophosphorus compound - Organooxygen compound - Organonitrogen compound - Aliphatic acyclic compound
• Description: 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

Propriétés chimiques et physiques

• Solubilité: Hydrolyzes in water.
• Sensibilité: Moisture Sensitive
• Indice de réfraction: 1.403
• Point d'éclair (°F): 176 °F
• Point d'éclair (°C): 80℃
• Point d'ébullition (°C): 104 °C/20 mmHg
• Poids moléculaire: 163.110 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 163.04 Da
• Monoisotopic Mass: 163.04 Da
• Topological Polar Surface Area: 59.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 173.000
• 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