Dimethyl (hydroxymethyl)phosphonate - ≥98% , CAS No.24630-67-9

CAS: 24630-67-9 Cat. No.: D588390 Summenformel: C₃H₉O₄P Molekulargewicht: 140.08

GRADE & PURITY ≥98%

Synonyms

Dimethyl (hydroxymethyl)phosphonate | FT-0763917 | MFCD11053766 | hydroxymethyl-phosphonic acid dimethyl ester | dimethyl hydroxylmethylphosphonate | Dimethoxyphosphorylmethanol | dimethyl(hydroxymethyl)phosphonate | OIERWUPLBOKSRB-UHFFFAOYSA-N | Dimethyl

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyme

Dimethyl (hydroxymethyl)phosphonate | FT-0763917 | MFCD11053766 | hydroxymethyl-phosphonic acid dimethyl ester | dimethyl hydroxylmethylphosphonate | Dimethoxyphosphorylmethanol | dimethyl(hydroxymethyl)phosphonate | OIERWUPLBOKSRB-UHFFFAOYSA-N | Dimethyl

Spezifikationen & Reinheit

≥98%

Storage

Room temperature,Argon charged

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 504765931
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765931
• Kanonisches Lächeln: COP(=O)(CO)OC
• IUPAC Name: dimethoxyphosphorylmethanol
• InChIKey: OIERWUPLBOKSRB-UHFFFAOYSA-N
• INCHI: 1S/C3H9O4P/c1-6-8(5,3-4)7-2/h4H,3H2,1-2H3
• Isomere SMILES: COP(=O)(CO)OC
• Molekulargewicht: 140.08
• Reaxy-Rn: 1926137
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1926137&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Moisture sensitive
• Molekulargewicht: 140.070 g/mol
• XLogP3: -1.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 140.024 Da
• Monoisotopic Mass: 140.024 Da
• Topological Polar Surface Area: 55.800 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 93.500
• 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