Tris(2,4-di-tert-butylphenyl) Phosphite - ≥98% , CAS No.31570-04-4

CAS: 31570-04-4 Cat. No.: T161948 Molecular Weight: 646.94 EC Number: 250-709-6 PubChem CID: 91601

GRADE & PURITY ≥98%

Synonyms

4-sulfamoylbutanoate | Tris(2,4-di-tert-butylphenyl)phosphite 100 microg/mL in Acetonitrile | 834E5H0LFF | Antioxidant 168 | Plastic additive 5, United States Pharmacopeia (USP) Reference Standard | 2H-PYRAN, 4-(BROMOMETHYL)TETRAHYDRO- | CHEBI:144343 | EV

Storage

Room temperature,Argon charged

Shipped In

Normal

Overview

Polymer processing stabilizer.

Specifications

Synonyms

4-sulfamoylbutanoate | Tris(2, 4-di-tert-butylphenyl)phosphite 100 microg/mL in Acetonitrile | 834E5H0LFF | Antioxidant 168 | Plastic additive 5, United States Pharmacopeia (USP) Reference Standard | 2H-PYRAN, 4-(BROMOMETHYL)TETRAHYDRO- | CHEBI:144343 | EV

Specifications & Purity

≥98%

Legal Information

Phosphine Ligand Kit component.

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504756077
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756077
• Canonical Smiles: CC(C)(C)C1=CC(=C(C=C1)OP(OC2=C(C=C(C=C2)C(C)(C)C)C(C)(C)C)OC3=C(C=C(C=C3)C(C)(C)C)C(C)(C)C)C(C)(C)C
• IUPAC Name: tris(2,4-ditert-butylphenyl) phosphite
• InChIKey: JKIJEFPNVSHHEI-UHFFFAOYSA-N
• INCHI: 1S/C42H63O3P/c1-37(2,3)28-19-22-34(31(25-28)40(10,11)12)43-46(44-35-23-20-29(38(4,5)6)26-32(35)41(13,14)15)45-36-24-21-30(39(7,8)9)27-33(36)42(16,17)18/h19-27H,1-18H3
• Isomeric SMILES: CC(C)(C)C1=CC(=C(C=C1)OP(OC2=C(C=C(C=C2)C(C)(C)C)C(C)(C)C)OC3=C(C=C(C=C3)C(C)(C)C)C(C)(C)C)C(C)(C)C
• WGK Germany: nwg
• PubChem CID: 91601
• Molecular Weight: 646.94
• Reaxy-Rn: 2033213

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Phenylpropanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Phenylpropanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpropanes
• Alternative Parents: Phenoxy compounds Organic phosphites Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylpropane - Phenoxy compound - Organic phosphite - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety.
• 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: Insoluble in water; Degree of Solubility in water: 0.001 mg/l 20 °C; Soluble in Toluene; Insoluble in Methanol
• Sensitivity: Moisture sensitive.&air sensitive
• Melt Point(°C): 187 °C
• Molecular Weight: 646.900 g/mol
• XLogP3: 15.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 12
• Exact Mass: 646.451 Da
• Monoisotopic Mass: 646.451 Da
• Topological Polar Surface Area: 27.700 Ų
• Heavy Atom Count: 46
• Formal Charge: 0
• Complexity: 823.000
• 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

References

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