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

CAS: 661-95-0 Cat. No.: D292576 Fórmula: C₃Br₂F₆ Peso molecular: 309.831 Número EC: 211-550-8

CALIDAD & PUREZA ≥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

Especificaciones

Sinónimos

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

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥99%

Nombres e identificadores

Sonrisas canónicas

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

Isómeros SMILES

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

Peso molecular

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
    • Clase Organofluorides

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

Propiedades químicas y físicas

• Punto de ebullición (°C): 73°
• Punto de fusión (°C): -95°
• Peso molecular: 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