Dimethyl Phosphate Sodium Salt , CAS No.32586-82-6

CAS: 32586-82-6 Cat. No.: D350619 Peso molecular: 148.03

Synonyms

Q18919131 | FT-0667527 | sodium;dimethyl phosphate | 6Y9431DWHB | Dimethyl Phosphate-13C2 Sodium Salt | Sodium dimethyl phosphate | DIMETHYL PHOSPHATE SODIUM SALT | SCHEMBL4408905 | UNII-6Y9431DWHB | AKOS030242292 | LMGRDVWNCARTPS-UHFFFAOYSA-M | Phosphori

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

Q18919131 | FT-0667527 | sodium;dimethyl phosphate | 6Y9431DWHB | Dimethyl Phosphate-13C2 Sodium Salt | Sodium dimethyl phosphate | DIMETHYL PHOSPHATE SODIUM SALT | SCHEMBL4408905 | UNII-6Y9431DWHB | AKOS030242292 | LMGRDVWNCARTPS-UHFFFAOYSA-M | Phosphori

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

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Nombres e identificadores

• Pubchem Sid: 504769479
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769479
• Sonrisas canónicas: COP(=O)([O-])OC.[Na+]
• IUPAC Name: sodium;dimethyl phosphate
• InChIKey: LMGRDVWNCARTPS-UHFFFAOYSA-M
• INCHI: 1S/C2H7O4P.Na/c1-5-7(3,4)6-2;/h1-2H3,(H,3,4);/q;+1/p-1
• Isómeros SMILES: COP(=O)([O-])OC.[Na+]
• Peso molecular: 148.03
• Reaxy-Rn: 3633989
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3633989&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Organic phosphoric acids and derivatives
      • Subclass Phosphate esters
        • Level5 Alkyl phosphates
          • Level6 Dialkyl phosphates

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Organic phosphoric acids and derivatives
• Subclass: Phosphate esters
• Intermediate Tree Nodes: Alkyl phosphates
• Direct Parent: Dialkyl phosphates
• Alternative Parents: Organooxygen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dialkyl phosphate - Organic alkali metal salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organooxygen compound - Organic cation - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as dialkyl phosphates. These are organic compounds containing a phosphate group that is linked to exactly two alkyl chain.
• 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

Propiedades químicas y físicas

• Punto de fusión (°C): >243° C (dec.)
• Peso molecular: 148.030 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 147.99 Da
• Monoisotopic Mass: 147.99 Da
• Topological Polar Surface Area: 58.600 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 86.000
• 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: 2

XLogP3