1,2-dibromo-hexafluoro-propane - ≥99% , CAS No.661-95-0

CAS: 661-95-0 Cat. No.: D292576 Summenformel: C₃Br₂F₆ Molekulargewicht: 309.831 EG-Nummer: 211-550-8

GRADE & PURITY ≥99%

Synonyms

BBL101724 | AKOS007930346 | DTXSID60880143 | MS-20271 | BRN 1704033 | Propane, 1,2-dibromo-1,1,2,3,3,3-hexafluoro- | A835359 | MFCD00013568 | STL555521 | ()-1,2-Dibromohexafluoropropane | EC 211-550-8 | Hexafluoropropene Dibromide | 1,2-Dibromohexafluorop

Storage

Room temperature

Specifications

Synonyme

BBL101724 | AKOS007930346 | DTXSID60880143 | MS-20271 | BRN 1704033 | Propane, 1,2-dibromo-1,1,2,3,3,3-hexafluoro- | A835359 | MFCD00013568 | STL555521 | ()-1,2-Dibromohexafluoropropane | EC 211-550-8 | Hexafluoropropene Dibromide | 1,2-Dibromohexafluorop

Spezifikationen & Reinheit

≥99%

Storage

Room temperature

Reinheit

≥99%

Namen und Kennungen

• Kanonisches Lächeln: C(C(F)(F)F)(C(F)(F)Br)(F)Br
• IUPAC Name: 1,2-dibromo-1,1,2,3,3,3-hexafluoropropane
• InChIKey: KTULQNFKNLFOHL-UHFFFAOYSA-N
• INCHI: 1S/C3Br2F6/c4-1(6,2(5,7)8)3(9,10)11
• Isomere SMILES: C(C(F)(F)F)(C(F)(F)Br)(F)Br
• Molekulargewicht: 309.831
• Reaxy-Rn: 1704033
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1704033&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Klasse Organofluorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Siedepunkt (°C): 73°
• Schmelzpunkt (°C): -95°
• Molekulargewicht: 309.830 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 309.825 Da
• Monoisotopic Mass: 307.827 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 152.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1