Diethyl phosphite - ≥99% , CAS No.762-04-9

CAS: 762-04-9 Cat. No.: D109100 Molecular Weight: 138.1 Beilstein Registry Number: 605759 EC Number: 212-091-6

GRADE & PURITY ≥99%

Synonyms

D0521 | DIETHYLPHOSPHONO GROUP | Diethyl acid phosphite | O,O-Dimethyl S-ethyl-2-sulfonylethyl phosphorothiolate | OPH(OC2H5)2 | O,O-Diethyl phosphonate | U9X9YBA22W | BRN 0605759 | Diethyl phosphonate | diethoxyphosphino-1-one | SCHEMBL35436 | NSC2665 |

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyms

D0521 | DIETHYLPHOSPHONO GROUP | Diethyl acid phosphite | O, O-Dimethyl S-ethyl-2-sulfonylethyl phosphorothiolate | OPH(OC2H5)2 | O, O-Diethyl phosphonate | U9X9YBA22W | BRN 0605759 | Diethyl phosphonate | diethoxyphosphino-1-one | SCHEMBL35436 | NSC2665 |

Specifications & Purity

≥99%

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 504764060
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764060
• Canonical Smiles: CCO[P+](=O)OCC
• IUPAC Name: diethoxy(oxo)phosphanium
• InChIKey: LXCYSACZTOKNNS-UHFFFAOYSA-N
• INCHI: 1S/C4H10O3P/c1-3-6-8(5)7-4-2/h3-4H2,1-2H3/q+1
• Isomeric SMILES: CCO[P+](=O)OCC
• WGK Germany: 1
• RTECS: TG7875000
• UN Number: 1993
• Packing Group: I
• Molecular Weight: 138.1
• Beilstein: 605759
• Reaxy-Rn: 6383103
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6383103&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organooxygen compounds
• Alternative Parents: Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organic cation - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organooxygen compounds. These are organic compounds containing a bond between a carbon atom and an oxygen atom.
• 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

Chemical and Physical Properties

• Solubility: Hydrolyzes with water.
• Sensitivity: Moisture sensitive.
• Refractive Index: 1.4101
• Flash Point(°F): 179.6 °F
• Flash Point(°C): 82℃
• Boil Point(°C): 50-51 °C/2 mmHg
• Melt Point(°C): -70°C
• Molecular Weight: 137.090 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 137.037 Da
• Monoisotopic Mass: 137.037 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 8
• Formal Charge: 1
• Complexity: 65.700
• 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

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