Perfluoroadamantane/Perfluoro(1-methyladamantane) - Mixture of Perfluoroadamantane adn Perfluoro(1-methyladamantane) , CAS No.69064-33-1

CAS: 69064-33-1 Cat. No.: P355101 Peso molecular: x(474.09)+y(424.08) Beilstein Registry Number: 4573810 PubChem CID: 64478

GRADE & PURITY Mixture of Perfluoroadamantane adn Perfluoro(1-methyladamantane)

Synonyms

Hexadecafluorotricyclo[3.3.1.13,7]decane | hexadecafluoroadamantane | F-adamantane | CHEBI:39002 | DTXSID5073612 | FRZFEPXEUZSBLA-UHFFFAOYSA-N | Tricyclo[3.3.1.13,7]decane,1,2,2,3,4,4,5,6,6,7,8,8,9,9,10,10-hexadecafluoro- | Tricyclo(3.3.1.1(3,7))decane, h

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Perfluoroadamantane/Perfluoro(1-methyladamantane) is a mixture of Perfluoroadamantane (CAS 69064-33-1) and Perfluoro(1-methyladamantane) (CAS 60096-00-6).

Specifications

Sinónimos

Hexadecafluorotricyclo[3.3.1.13, 7]decane | hexadecafluoroadamantane | F-adamantane | CHEBI:39002 | DTXSID5073612 | FRZFEPXEUZSBLA-UHFFFAOYSA-N | Tricyclo[3.3.1.13, 7]decane, 1, 2, 2, 3, 4, 4, 5, 6, 6, 7, 8, 8, 9, 9, 10, 10-hexadecafluoro- | Tricyclo(3.3.1.1(3, 7))decane, h

Especificaciones y pureza

Mixture of Perfluoroadamantane adn Perfluoro(1-methyladamantane)

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

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Nombres e identificadores

• Pubchem Sid: 488183631
• Sonrisas canónicas: C12(C(C3(C(C(C1(F)F)(C(C(C2(F)F)(C3(F)F)F)(F)F)F)(F)F)F)(F)F)F
• IUPAC Name: 1,2,2,3,4,4,5,6,6,7,8,8,9,9,10,10-hexadecafluoroadamantane
• InChIKey: FRZFEPXEUZSBLA-UHFFFAOYSA-N
• INCHI: 1S/C10F16/c11-1-5(15,16)2(12)8(21,22)3(13,6(1,17)18)10(25,26)4(14,7(1,19)20)9(2,23)24
• Isómeros SMILES: C12(C(C3(C(C(C1(F)F)(C(C(C2(F)F)(C3(F)F)F)(F)F)F)(F)F)F)(F)F)F
• PubChem CID: 64478
• Peso molecular: x(474.09)+y(424.08)
• Beilstein: 4573810

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 homopolycyclic compounds
• Substituents: Hydrocarbon derivative - Organofluoride - Alkyl halide - Alkyl fluoride - Aliphatic homopolycyclic 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: fluorocarbon

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: n20D1.32 (Predicted)
• Punto de ebullición (°C): 126.13° C at 760 mmHg (Predicted)
• Punto de fusión (°C): -0.95° C (Predicted)
• Peso molecular: 424.080 g/mol
• XLogP3: 4.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 0
• Exact Mass: 423.974 Da
• Monoisotopic Mass: 423.974 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 490.000
• 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