Tri-neo-pentylphosphite - ≥90% , CAS No.14540-52-4

CAS: 14540-52-4 Cat. No.: T282178 Molecular Weight: 292.4 PubChem CID: 316404

GRADE & PURITY ≥90%

Synonyms

tris(2,2-dimethylpropyl) phosphite | MFCD00015008 | DTXSID30311616 | NSC244346 | NSC-244346 | 2-methyl-3,3 inverted exclamation mark(R)-bipyridine | Tri-neo-pentylphophite | SCHEMBL4448101 | Trineopentyl phosphite | 1-Propanol,2-dimethyl-, phosphite (3:1)

Storage

Room temperature

Specifications

Synonyms

tris(2, 2-dimethylpropyl) phosphite | MFCD00015008 | DTXSID30311616 | NSC244346 | NSC-244346 | 2-methyl-3, 3 inverted exclamation mark(R)-bipyridine | Tri-neo-pentylphophite | SCHEMBL4448101 | Trineopentyl phosphite | 1-Propanol, 2-dimethyl-, phosphite (3:1)

Specifications & Purity

≥90%

Storage

Room temperature

Purity

≥90%

Names and Identifiers

• Canonical Smiles: CC(C)(C)COP(OCC(C)(C)C)OCC(C)(C)C
• IUPAC Name: tris(2,2-dimethylpropyl) phosphite
• InChIKey: VEKIRWDIEAVDHT-UHFFFAOYSA-N
• INCHI: 1S/C15H33O3P/c1-13(2,3)10-16-19(17-11-14(4,5)6)18-12-15(7,8)9/h10-12H2,1-9H3
• Isomeric SMILES: CC(C)(C)COP(OCC(C)(C)C)OCC(C)(C)C
• PubChem CID: 316404
• Molecular Weight: 292.4

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organophosphorus compounds
    • Class Trialkylphosphites

• Kingdom: Organic compounds
• Superclass: Organophosphorus compounds
• Class: Trialkylphosphites
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Trialkylphosphites
• Alternative Parents: Organic phosphites Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Trialkylphosphite - Organic phosphite - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as trialkylphosphites. These are organic compounds containing a phosphorous acid, which is tri-esterified with alkyl groups.
• 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: air sensitive
• Boil Point(°C): 80°C/0.15 mm
• Melt Point(°C): 55-57°C
• Molecular Weight: 292.390 g/mol
• XLogP3: 5.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 9
• Exact Mass: 292.217 Da
• Monoisotopic Mass: 292.217 Da
• Topological Polar Surface Area: 27.700 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 203.000
• 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