Perfluoro-1,3-dimethylcyclohexane - ≥80% , CAS No.335-27-3

CAS: 335-27-3 Cat. No.: P169665 Fórmula: C₈F₁₆ Peso molecular: 400.06 Número CE: 206-386-9 PubChem CID: 78975

GRAU & PUREZA ≥80%

Synonyms

Decafluoro-1,3-bis(trifluoromethyl)cyclohexane | Perfluoro(1,3-dimethylcyclohexane) | 1,1,2,2,3,3,4,5,5,6-Decafluoro-4,6-bis(trifluoromethyl)cyclohexane | 335-27-3

Storage

Room temperature

Shipped In

Normal

Especificações

Sinónimos

Decafluoro-1,3-bis(trifluoromethyl)cyclohexane | Perfluoro(1,3-dimethylcyclohexane) | 1,1,2,2,3,3,4,5,5,6-Decafluoro-4,6-bis(trifluoromethyl)cyclohexane | 335-27-3

Especificações e pureza

≥80%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥80%

Nomes e identificadores

Pubchem Sid

488185654

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488185654

Sorrisos canónicos

C1(C(C(C(C(C1(F)F)(F)F)(F)F)(C(F)(F)F)F)(F)F)(C(F)(F)F)F

IUPAC Name

1,1,2,2,3,3,4,5,5,6-decafluoro-4,6-bis(trifluoromethyl)cyclohexane

InChIKey

LOQGSOTUHASIHI-UHFFFAOYSA-N

INCHI

1S/C8F16/c9-1(7(19,20)21)3(11,12)2(10,8(22,23)24)5(15,16)6(17,18)4(1,13)14

SMILES isoméricas

C1(C(C(C(C(C1(F)F)(F)F)(F)F)(C(F)(F)F)F)(F)F)(C(F)(F)F)F

WGK Alemanha

3

PubChem CID

78975

Peso molecular

400.06

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Classe Alkyl halides
      • Subclass Cyclohexyl halides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Classe: Alkyl halides
• Subclass: Cyclohexyl halides
• Intermediate Tree Nodes: Not available
• Direct Parent: Cyclohexyl halides
• Alternative Parents: Organofluorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclohexyl halide - Hydrocarbon derivative - Organofluoride - Alkyl fluoride - Aliphatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as cyclohexyl halides. These are organohalogen compounds containing a monocyclic cyclohexane moiety that is substituted at one or more positions by an halogen 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

Propriedades químicas e físicas

• Índice de refração: 1.2908
• Ponto de ebulição (°C): 101-102 °C
• Ponto de fusão (°C): -55°C
• Peso molecular: 400.060 g/mol
• XLogP3: 5.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 0
• Exact Mass: 399.974 Da
• Monoisotopic Mass: 399.974 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 479.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥80% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 335-27-3, the molecular formula is C8F16, and the molecular weight is 400.06 g/mol. InChIKey LOQGSOTUHASIHI-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.