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

CAS: 661-95-0 Cat. No.: D292576 Formula: C₃Br₂F₆ Peso molecolare: 309.831 Numero EC: 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

Sinonimi

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

Specifiche e purezza

≥99%

Condizioni di conservazione di stoccaggio

Room temperature

Purezza

≥99%

Nomi e identificatori

• Sorrisi canonici: 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
• Isomeri SMILES: C(C(F)(F)F)(C(F)(F)Br)(F)Br
• Peso molecolare: 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
    • 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Punto di ebollizione (°C): 73°
• Punto di fusione (°C): -95°
• Peso molecolare: 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