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

CAS: 69064-33-1 Cat. No.: P355101 Summenformel: x(C₁₁F₁₈)+y(C₁₀F₁₆) Molekulargewicht: 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

Übersicht

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

Specifications

Synonyme

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

Spezifikationen & Reinheit

Mixture of Perfluoroadamantane adn Perfluoro(1-methyladamantane)

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Namen und Kennungen

Pubchem Sid

488183631

Kanonisches Lächeln

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

Isomere 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

Molekulargewicht

x(474.09)+y(424.08)

Beilstein

4573810

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Klasse Organofluorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Brechungsindex: n20D1.32 (Predicted)
• Siedepunkt (°C): 126.13° C at 760 mmHg (Predicted)
• Schmelzpunkt (°C): -0.95° C (Predicted)
• Molekulargewicht: 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

Häufig gestellte Fragen

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 69064-33-1, the molecular formula is x(C11F18)+y(C10F16), and the molecular weight is x(474.09)+y(424.08) g/mol. InChIKey FRZFEPXEUZSBLA-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.