Perfluorononane（Mixture of Isomers） - ≥97% , CAS No.375-96-2

CAS: 375-96-2 Cat. No.: P169997 Peso molecular: 488.06 Número EC: 695-218-1 PubChem CID: 520856

GRADE & PURITY ≥97%

Synonyms

AKOS025310388 | SCHEMBL771546 | A823788 | Eicosafluorononane | eicosafluoro-nonane | MFCD00153254 | E0485 | Perfluorononane, 97% | Perfluorononane | 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-icosakis(fluoranyl)nonane | FS-5344 | UVWPNDVAQBNQBG-UHFFFAOYSA-N

Storage

Room temperature

Shipped In

Normal

Descripción general

Product description：
Perfluorononane is a common liquid perfluoro-n-alkane. It is a potent greenhouse gas and environment and health hazards posed by its toxic decomposition products have been evaluated.Perfluorononane is reported as an ideal oral contrast agent since it is biologically inert, immiscible with water, and also has a low viscosity and surface tension. Intramolecular electronic environment of perfluorononane using 13C and 19F NMR techniques in combination with theoretical calculations of molecular orbitals has been reported.

Application：

Perfluorononane may be employed in the interface between active and buffer layer to improve the performance of polymer photovoltaic cells. It may be employed as selective and specific markers for monitoring the gastric emptying and gastrointestinal (GI) transit times in mice and humans by using 27Al and 19F nuclear magnetic resonance (NMR).

Specifications

Sinónimos

AKOS025310388 | SCHEMBL771546 | A823788 | Eicosafluorononane | eicosafluoro-nonane | MFCD00153254 | E0485 | Perfluorononane, 97% | Perfluorononane | 1, 1, 1, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 8, 8, 9, 9, 9-icosakis(fluoranyl)nonane | FS-5344 | UVWPNDVAQBNQBG-UHFFFAOYSA-N

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504759071
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759071
• Sonrisas canónicas: C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
• IUPAC Name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-icosafluorononane
• InChIKey: UVWPNDVAQBNQBG-UHFFFAOYSA-N
• INCHI: 1S/C9F20/c10-1(11,2(12,13)4(16,17)6(20,21)8(24,25)26)3(14,15)5(18,19)7(22,23)9(27,28)29
• Isómeros SMILES: C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
• WGK Alemania: 3
• PubChem CID: 520856
• Peso molecular: 488.06

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Clase Organofluorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Clase: Organofluorides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organofluorides
• Alternative Parents: Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hydrocarbon derivative - Organofluoride - Alkyl halide - Alkyl fluoride - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as organofluorides. These are compounds containing a chemical bond between a carbon atom and a fluorine atom.
• 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

Propiedades químicas y físicas

• Índice de refracción: 1.28
• Punto de ebullición (°C): 125 °C
• Punto de fusión (°C): -16 °C
• Peso molecular: 488.060 g/mol
• XLogP3: 7.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 20
• Rotatable Bond Count: 6
• Exact Mass: 487.968 Da
• Monoisotopic Mass: 487.968 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 548.000
• 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