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

CAS: 69064-33-1 Cat. No.: P355101 Formule: x(C₁₁F₁₈)+y(C₁₀F₁₆) Poids moléculaire: 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

Vue d’ensemble

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

Specifications

Synonymes

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

Spécifications et pureté

Mixture of Perfluoroadamantane adn Perfluoro(1-methyladamantane)

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Noms et identifiants

Pubchem Sid

488183631

Sourires canoniques

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

Isomères 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

Poids moléculaire

x(474.09)+y(424.08)

Beilstein

4573810

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Classe Organofluorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Indice de réfraction: n20D1.32 (Predicted)
• Point d'ébullition (°C): 126.13° C at 760 mmHg (Predicted)
• Point de fusion (°C): -0.95° C (Predicted)
• Poids moléculaire: 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

Foire aux questions

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.