Sodium 2,4,8,10-Tetra-tert-butyl-12H-dibenzo[d,g][1,3,2]dioxaphosphocin-6-olate 6-Oxide - ≥98% , CAS No.85209-91-2

CAS: 85209-91-2 Cat. No.: S404830 Molecular Weight: 508.61 EC Number: 286-344-4 PubChem CID: 23674278

GRADE & PURITY ≥98%

Synonyms

EINECS 286-344-4 | 2,2'-Methylenebis(4,6-di-t-butylphenyl) sodium phosphate | 2,2'-methylenebis(4,6-di-tert-butylphenol) phosphate sodium salt | Sodium 2,2'-methylene-bis(4,6-di-tert-butylphenyl) phosphate | SODIUM 2,2'-METHYLENEBIS(4,6-DI-TERT-BUTYLPHENY

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

EINECS 286-344-4 | 2, 2'-Methylenebis(4, 6-di-t-butylphenyl) sodium phosphate | 2, 2'-methylenebis(4, 6-di-tert-butylphenol) phosphate sodium salt | Sodium 2, 2'-methylene-bis(4, 6-di-tert-butylphenyl) phosphate | SODIUM 2, 2'-METHYLENEBIS(4, 6-DI-TERT-BUTYLPHENY

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Protected from light, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504769591
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769591
• Canonical Smiles: CC(C)(C)C1=CC2=C(C(=C1)C(C)(C)C)OP(=O)(OC3=C(C2)C=C(C=C3C(C)(C)C)C(C)(C)C)[O-].[Na+]
• IUPAC Name: sodium;1,3,7,9-tetratert-butyl-11-oxido-5H-benzo[d][1,3,2]benzodioxaphosphocine 11-oxide
• InChIKey: ZHROMWXOTYBIMF-UHFFFAOYSA-M
• INCHI: 1S/C29H43O4P.Na/c1-26(2,3)20-14-18-13-19-15-21(27(4,5)6)17-23(29(10,11)12)25(19)33-34(30,31)32-24(18)22(16-20)28(7,8)9;/h14-17H,13H2,1-12H3,(H,30,31);/q;+1/p-1
• Isomeric SMILES: CC(C)(C)C1=CC2=C(C(=C1)C(C)(C)C)OP(=O)(OC3=C(C2)C=C(C=C3C(C)(C)C)C(C)(C)C)[O-].[Na+]
• PubChem CID: 23674278
• UN Number: 3077
• Packing Group: III
• Molecular Weight: 508.61
• Reaxy-Rn: 30388877

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Organic phosphoric acids and derivatives
      • Subclass Phosphate esters
        • Level5 Aryl phosphates
          • Level6 Aryl phosphodiesters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic phosphoric acids and derivatives
• Subclass: Phosphate esters
• Intermediate Tree Nodes: Aryl phosphates
• Direct Parent: Aryl phosphodiesters
• Alternative Parents: Benzenoids Oxacyclic compounds Organooxygen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Aryl phosphodiester - Benzenoid - Oxacycle - Organic alkali metal salt - Organoheterocyclic compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organooxygen compound - Organic cation - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as aryl phosphodiesters. These are aryl phosphates in which the phosphate is esterified at exactly two positions.
• 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

• Sensitivity: light sensitive
• Molecular Weight: 508.600 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 508.272 Da
• Monoisotopic Mass: 508.272 Da
• Topological Polar Surface Area: 58.600 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 710.000
• 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

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