Tetraethyl butane-1,4-diylbis(phosphonate) - ≥98% , CAS No.7203-67-0

CAS: 7203-67-0 Cat. No.: T595298 Peso molecular: 330.29 PubChem CID: 596862

GRADE & PURITY ≥98%

Synonyms

MFCD00015135 | Phosphonic acid, tetramethylenedi-, tetraethyl ester | RODFSBORIZJBLE-UHFFFAOYSA-N | Tetraethyl butane-1,4-diylbis(phosphonate) | butanediyl-bis-phosphonic acid tetraethyl ester | Tetraethyl butane-1,4-diphosphonate | Tetraethyl(1,4-butylen

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Application

227,228,229

Specifications

Sinónimos

MFCD00015135 | Phosphonic acid, tetramethylenedi-, tetraethyl ester | RODFSBORIZJBLE-UHFFFAOYSA-N | Tetraethyl butane-1, 4-diylbis(phosphonate) | butanediyl-bis-phosphonic acid tetraethyl ester | Tetraethyl butane-1, 4-diphosphonate | Tetraethyl(1, 4-butylen

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CCOP(=O)(CCCCP(=O)(OCC)OCC)OCC
• IUPAC Name: 1,4-bis(diethoxyphosphoryl)butane
• InChIKey: RODFSBORIZJBLE-UHFFFAOYSA-N
• INCHI: 1S/C12H28O6P2/c1-5-15-19(13,16-6-2)11-9-10-12-20(14,17-7-3)18-8-4/h5-12H2,1-4H3
• Isómeros SMILES: CCOP(=O)(CCCCP(=O)(OCC)OCC)OCC
• PubChem CID: 596862
• Peso molecular: 330.29

Taxonomic Classification

Taxonomy Tree

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

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

Propiedades químicas y físicas

• Peso molecular: 330.290 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 13
• Exact Mass: 330.136 Da
• Monoisotopic Mass: 330.136 Da
• Topological Polar Surface Area: 71.100 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 282.000
• 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