Perfluorododecane - ≥97% , CAS No.307-59-5

CAS: 307-59-5 Cat. No.: P122377 Fórmula: C₁₂F₂₆ Peso molecular: 638.09 Beilstein Registry Number: 1811139 Número CE: 206-204-8

GRAU & PUREZA ≥97%

Synonyms

FS-4444 | Perfluorododecane | DTXSID30184726 | AKOS016015503 | C12F26 | SCHEMBL62622 | P1755 | Hexacosafluorododecane | Dodecane, 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-hexacosafluoro- | EINECS 206-204-8 | 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7

Storage

Room temperature

Shipped In

Normal

Especificações

Sinónimos

FS-4444 | Perfluorododecane | DTXSID30184726 | AKOS016015503 | C12F26 | SCHEMBL62622 | P1755 | Hexacosafluorododecane | Dodecane, 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-hexacosafluoro- | EINECS 206-204-8 | 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥97%

Nomes e identificadores

Pubchem Sid

488185652

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488185652

Sorrisos canónicos

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

IUPAC Name

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-hexacosafluorododecane

InChIKey

WNZGTRLARPEMIG-UHFFFAOYSA-N

INCHI

1S/C12F26/c13-1(14,3(17,18)5(21,22)7(25,26)9(29,30)11(33,34)35)2(15,16)4(19,20)6(23,24)8(27,28)10(31,32)12(36,37)38

SMILES isoméricas

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

Peso molecular

638.09

Beilstein

1811139

Reaxy-Rn

1811139

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1811139&ln=

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 acyclic compounds
• Substituents: Hydrocarbon derivative - Organofluoride - Alkyl halide - Alkyl fluoride - Aliphatic acyclic compound
• Descrição: 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: 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

• Ponto de ebulição (°C): 178°C
• Ponto de fusão (°C): 72-76°C
• Peso molecular: 638.090 g/mol
• XLogP3: 9.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 26
• Rotatable Bond Count: 9
• Exact Mass: 637.958 Da
• Monoisotopic Mass: 637.958 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 38
• Formal Charge: 0
• Complexity: 792.000
• 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