Isopropyl phosphite - ≥98% , CAS No.691-96-3

CAS: 691-96-3 Cat. No.: I698048 Formula: C₆H₁₅O₃P Peso molecolare: 166.16 PubChem CID: 558181

GRADE & PURITY ≥98%

Storage

Room temperature

Specifications

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Purezza

≥98%

Nomi e identificatori

• Sorrisi canonici: CC(C)OP(O)OC(C)C
• IUPAC Name: dipropan-2-yl hydrogen phosphite
• InChIKey: NFORZJQPTUSMRL-UHFFFAOYSA-N
• INCHI: 1S/C6H15O3P/c1-5(2)8-10(7)9-6(3)4/h5-7H,1-4H3
• Isomeri SMILES: CC(C)OP(O)OC(C)C
• PubChem CID: 558181
• Peso molecolare: 166.16

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organic oxoanionic compounds
      • Subclass Organic phosphites

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organic oxoanionic compounds
• Subclass: Organic phosphites
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic phosphites
• Alternative Parents: Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organic phosphite - Hydrocarbon derivative - Organooxygen compound - Aliphatic acyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as organic phosphites. These are organic compounds containing the phosphite oxoanion, with the formula [PO3]3-.
• 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

Proprietà chimiche e fisiche

• Peso molecolare: 166.160 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 166.076 Da
• Monoisotopic Mass: 166.076 Da
• Topological Polar Surface Area: 38.700 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 75.100
• 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