Perfluoro(methylcyclohexane) - ≥98% , CAS No.355-02-2

CAS: 355-02-2 Cat. No.: P407437 Peso molecular: 350.05 Beilstein Registry Number: 1915980 Número EC: 206-573-5 PubChem CID: 9637

GRADE & PURITY ≥98%

Synonyms

Cyclohexane, undecafluoro(trifluoromethyl)- | FLUTEC PC 2 | DTXSID5059874 | Cyclohexane,2,2,3,3,4,4,5,5,6,6-undecafluoro- | Q17074544 | UNII-VJ9772YW63 | NSC-4779 | SCHEMBL37587 | Flutec PP2 | Undecafluoro(trifluoromethyl)cyclohexane | A822838 | Perfluoro

Storage

Room temperature,Desiccated,Cool

Shipped In

Normal

Descripción general

Perfluoro(methylcyclohexane) can be used as:
A reactant to synthesize perfluoro-2-methylcyclohex-1-enolate by photochemical reaction with tetrabutylammonium iodide in water.
A fluorous solvent to synthesize polynorbornene via ring-opening metathesis polymerization (ROMP) of norbornene using fluorous Grubbs′ second-generation catalyst.
It can also be used as a solvent to investigate fluorophilicity of a series of hydrocarbon and fluorocarbon-functionalized nicotinic acid esters.

Specifications

Sinónimos

Cyclohexane, undecafluoro(trifluoromethyl)- | FLUTEC PC 2 | DTXSID5059874 | Cyclohexane, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6-undecafluoro- | Q17074544 | UNII-VJ9772YW63 | NSC-4779 | SCHEMBL37587 | Flutec PP2 | Undecafluoro(trifluoromethyl)cyclohexane | A822838 | Perfluoro

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature, Desiccated, Cool

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504751854
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751854
• Sonrisas canónicas: C1(C(C(C(C(C1(F)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)F
• IUPAC Name: 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(trifluoromethyl)cyclohexane
• InChIKey: QIROQPWSJUXOJC-UHFFFAOYSA-N
• INCHI: 1S/C7F14/c8-1(7(19,20)21)2(9,10)4(13,14)6(17,18)5(15,16)3(1,11)12
• Isómeros SMILES: C1(C(C(C(C(C1(F)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)F
• WGK Alemania: 3
• PubChem CID: 9637
• Peso molecular: 350.05
• Beilstein: 1915980

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Índice de refracción: 1.285
• Punto de ebullición (°C): 76 °C
• Peso molecular: 350.050 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 0
• Exact Mass: 349.978 Da
• Monoisotopic Mass: 349.978 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 411.000
• 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

Referencias

1. Minghui Sun, Muthu Murugananthan, Zhiming Zhou, Yan Shen, Yanrong Zhang, Xiaoguang Wang.  (2024)  Hydrophobic covalent organic frameworks utilized Fluorocarbon/Water system for efficient hydrogen peroxide photosynthesis.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2024.150245]