Perfluoro-1-butanesulfonyl fluoride - ≥96% , CAS No.375-72-4

CAS: 375-72-4 Cat. No.: P120075 Peso molecular: 302.09 Beilstein Registry Number: 1813589 Número EC: 206-792-6

GRADE & PURITY ≥96%

Synonyms

Nonafluorobutanesulfonyl fluoride | perfluorobutylsulfonylfluoride | PBSF | CF3(CF2)3SO2F | perfluorobutansulfonyl fluoride | 1,1,2,2,3,3,4,4,4-nonafluoro-butane-1-sulfonyl fluoride | 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonyl fluoride | Perfluoro-1-bu

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

Nonafluorobutanesulfonyl fluoride | perfluorobutylsulfonylfluoride | PBSF | CF3(CF2)3SO2F | perfluorobutansulfonyl fluoride | 1, 1, 2, 2, 3, 3, 4, 4, 4-nonafluoro-butane-1-sulfonyl fluoride | 1, 1, 2, 2, 3, 3, 4, 4, 4-nonafluorobutane-1-sulfonyl fluoride | Perfluoro-1-bu

Especificaciones y pureza

≥96%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥96%

Nombres e identificadores

• Sonrisas canónicas: C(C(C(F)(F)S(=O)(=O)F)(F)F)(C(F)(F)F)(F)F
• IUPAC Name: 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonyl fluoride
• InChIKey: LUYQYZLEHLTPBH-UHFFFAOYSA-N
• INCHI: 1S/C4F10O2S/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16
• Isómeros SMILES: C(C(C(F)(F)S(=O)(=O)F)(F)F)(C(F)(F)F)(F)F
• WGK Alemania: 3
• Peso molecular: 302.09
• Beilstein: 1813589
• Reaxy-Rn: 1813589
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1813589&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Clase Alkyl halides
      • Subclass Alkyl fluorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Clase: Alkyl halides
• Subclass: Alkyl fluorides
• Intermediate Tree Nodes: Not available
• Direct Parent: Perfluoroalkanesulfonyl fluorides
• Alternative Parents: Sulfonyls Sulfonyl fluorides Organosulfonic acids and derivatives Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Perfluoroalkanesulfonyl fluoride - Sulfonyl - Sulfonyl halide - Sulfonyl fluoride - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organofluoride - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as perfluoroalkanesulfonyl fluorides. These are organic compounds containing an alkyl chain attached to the sulfur of an organosulfonyl fluoride group, where all hydrogens of the alkyl chain are replaced by fluorine atoms.
• 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

• Solubilidad: Hydrolyses in water.
• Sensibilidad: Moisture Sensitive
• Índice de refracción: 1.281
• Punto de ebullición (°C): 65°C
• Punto de fusión (°C): -110°C
• Peso molecular: 302.090 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 3
• Exact Mass: 301.946 Da
• Monoisotopic Mass: 301.946 Da
• Topological Polar Surface Area: 42.500 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 386.000
• 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