1,8-Dibromohexadécafluorooctane - ≥97% , CAS No.812-58-8

CAS: 812-58-8 Cat. No.: D155441 Formule: C₈Br₂F₁₆ Poids moléculaire: 559.87 Numéro CE: 670-420-2

GRADE & PURITY ≥97%

Synonyms

1,8-Dibromo-1,1,2,3,3,4,5,6,7,7,8-hexadécafluorooctane | 1,8-Dibromoperfluorooctane | Perfluoro-1,8-dibromooctane

Storage

A conserver entre 2 et 8°C

Shipped In

Glace humide

Specifications

Synonymes

1,8-Dibromo-1,1,2,3,3,4,5,6,7,7,8-hexadécafluorooctane | 1,8-Dibromoperfluorooctane | Perfluoro-1,8-dibromooctane

Spécifications et pureté

≥97%

Conditions de stockage de stockage

A conserver entre 2 et 8°C

Expédié en

Glace humide

Pureté

≥97%

Noms et identifiants

Pubchem Sid

504761331

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504761331

Sourires canoniques

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

IUPAC Name

1,8-dibromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctane

InChIKey

LYRJPHOHVRHNQH-UHFFFAOYSA-N

INCHI

1S/C8Br2F16/c9-7(23,24)5(19,20)3(15,16)1(11,12)2(13,14)4(17,18)6(21,22)8(10,25)26

Isomères SMILES

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

Poids moléculaire

559.87

Reaxy-Rn

2016023

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2016023&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: Organobromides Hydrocarbon derivatives Alkyl fluorides Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hydrocarbon derivative - Organofluoride - Organobromide - Alkyl halide - Alkyl fluoride - Alkyl bromide - Aliphatic acyclic 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: 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

Propriétés chimiques et physiques

• Solubilité: Soluble in Methanol
• Point d'ébullition (°C): 180 °C
• Point de fusion (°C): 39 °C
• Poids moléculaire: 559.870 g/mol
• XLogP3: 7.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 7
• Exact Mass: 559.809 Da
• Monoisotopic Mass: 557.811 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 488.000
• 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