4,4,5,5-Tetramethyl-1,3,2-dioxaphospholane 2-Oxide - ≥95%(GC) , CAS No.16352-18-4

CAS: 16352-18-4 Cat. No.: T162275 Molecular Weight: 164.14 Beilstein Registry Number: 1(4)2576 EC Number: 624-545-4 PubChem CID: 11309699

GRADE & PURITY ≥95%(GC)

Synonyms

4,4,5,5-Tetramethyl-1,3,2-dioxaphospholane 2-oxide, 95% | MFCD09836231 | 4,4,5,5-Tetramethyl-1,3,2-dioxaphospholane2-Oxide | 4,4,5,5-tetramethyl-1,3,2lambda5-dioxaphospholan-2-one | 4,4,5,5-Tetramethyl-1,3,2-dioxaphospholane 2-Oxide | 4,4,5,5-Tetramethyl-

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

4, 4, 5, 5-Tetramethyl-1, 3, 2-dioxaphospholane 2-oxide, 95% | MFCD09836231 | 4, 4, 5, 5-Tetramethyl-1, 3, 2-dioxaphospholane2-Oxide | 4, 4, 5, 5-tetramethyl-1, 3, 2lambda5-dioxaphospholan-2-one | 4, 4, 5, 5-Tetramethyl-1, 3, 2-dioxaphospholane 2-Oxide | 4, 4, 5, 5-Tetramethyl-

Specifications & Purity

≥95%(GC)

Storage

Room temperature

Shipped In

Normal

Purity

≥95%(GC)

Names and Identifiers

• Canonical Smiles: CC1(C(O[P+](=O)O1)(C)C)C
• IUPAC Name: 4,4,5,5-tetramethyl-1,3,2-dioxaphospholan-2-ium 2-oxide
• InChIKey: MWVBQXVOGPKEII-UHFFFAOYSA-N
• INCHI: 1S/C6H12O3P/c1-5(2)6(3,4)9-10(7)8-5/h1-4H3/q+1
• Isomeric SMILES: CC1(C(O[P+](=O)O1)(C)C)C
• WGK Germany: 3
• PubChem CID: 11309699
• Molecular Weight: 164.14
• Beilstein: 1(4)2576
• Reaxy-Rn: 1705857

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Dioxaphospholanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Dioxaphospholanes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Dioxaphospholanes
• Alternative Parents: Oxacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: 1,3_dioxaphospholane - Oxacycle - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organic cation - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as dioxaphospholanes. These are cyclic organic compounds containing a five-member aliphatic single-bonded ring, with a phosphorine atom and two oxygen atoms at the ring positions 1, 2, and 3 respectively.
• 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: Moisture Sensitive
• Melt Point(°C): 104 °C
• Molecular Weight: 163.130 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 163.052 Da
• Monoisotopic Mass: 163.052 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 10
• Formal Charge: 1
• Complexity: 156.000
• 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