Hexafluoroglutaryl fluoride , CAS No.678-78-4

CAS: 678-78-4 Cat. No.: H331066 Formula: C₅F₈O₂ Peso molecolare: 244.04 Numero EC: 211-652-2

Synonyms

FT-0626999 | 2,2,3,3,4,4-hexafluoropentanedioyl difluoride | Pentanedioyl difluoride, 2,2,3,3,4,4-hexafluoro- | Pentanedioyl difluoride, hexafluoro- | Perfluoroglutaryl fluoride | SCHEMBL4184561 | AKOS015852705 | DTXSID50218052 | A835918 | MFCD00054652 |

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinonimi

FT-0626999 | 2,2,3,3,4,4-hexafluoropentanedioyl difluoride | Pentanedioyl difluoride, 2,2,3,3,4,4-hexafluoro- | Pentanedioyl difluoride, hexafluoro- | Perfluoroglutaryl fluoride | SCHEMBL4184561 | AKOS015852705 | DTXSID50218052 | A835918 | MFCD00054652 |

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Nomi e identificatori

• Sorrisi canonici: C(=O)(C(C(C(C(=O)F)(F)F)(F)F)(F)F)F
• IUPAC Name: 2,2,3,3,4,4-hexafluoropentanedioyl difluoride
• InChIKey: XAKMJUAGVWKMOB-UHFFFAOYSA-N
• INCHI: 1S/C5F8O2/c6-1(14)3(8,9)5(12,13)4(10,11)2(7)15
• Isomeri SMILES: C(=O)(C(C(C(C(=O)F)(F)F)(F)F)(F)F)F
• Peso molecolare: 244.04
• Reaxy-Rn: 1914560
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1914560&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Classe Acyl halides
      • Subclass Acyl fluorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Classe: Acyl halides
• Subclass: Acyl fluorides
• Intermediate Tree Nodes: Not available
• Direct Parent: Acyl fluorides
• Alternative Parents: Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acyl fluoride - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Carbonyl group - Alkyl halide - Alkyl fluoride - Aliphatic acyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as acyl fluorides. These are organic compounds containing the functional group -CO-F.
• 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): 46-47° C
• Peso molecolare: 244.040 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 4
• Exact Mass: 243.977 Da
• Monoisotopic Mass: 243.977 Da
• Topological Polar Surface Area: 34.100 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 267.000
• 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