Heptafluorobutyric anhydride(HFAA) - for GC derivatization, ≥99% , CAS No.336-59-4

CAS: 336-59-4 Cat. No.: H122092 Peso molecular: 410.06 Beilstein Registry Number: 856036 Número EC: 206-410-8

GRADE & PURITY for GC derivatization, ≥99%

Synonyms

BCP22497 | Heptafluorobutyric anhydride | HEPTAFLUOROBUTYRYL ANHYDRIDE | Heptafluorobutanoic anhydride | J-521428 | Butanoic acid, 2,2,3,3,4,4,4-heptafluoro-, 1,1'-anhydride | GC10217 | 1,1,2,2,3,3,3-Heptafluorobutanoic anhydride # | DTXSID10861881 | UNII

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

Heptafluorobutyric anhydride (HFB) is a derivatizing reagent. It provides facile and sensitive way for detecting and elucidating structure of numerous alkyl-chain homologs.

Specifications

Sinónimos

BCP22497 | Heptafluorobutyric anhydride | HEPTAFLUOROBUTYRYL ANHYDRIDE | Heptafluorobutanoic anhydride | J-521428 | Butanoic acid, 2, 2, 3, 3, 4, 4, 4-heptafluoro-, 1, 1'-anhydride | GC10217 | 1, 1, 2, 2, 3, 3, 3-Heptafluorobutanoic anhydride # | DTXSID10861881 | UNII

Especificaciones y pureza

for GC derivatization, ≥99%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Grado

for GC derivatization

Pureza

≥99%

Nombres e identificadores

• Sonrisas canónicas: C(=O)(C(C(C(F)(F)F)(F)F)(F)F)OC(=O)C(C(C(F)(F)F)(F)F)(F)F
• IUPAC Name: 2,2,3,3,4,4,4-heptafluorobutanoyl 2,2,3,3,4,4,4-heptafluorobutanoate
• InChIKey: UFFSXJKVKBQEHC-UHFFFAOYSA-N
• INCHI: 1S/C8F14O3/c9-3(10,5(13,14)7(17,18)19)1(23)25-2(24)4(11,12)6(15,16)8(20,21)22
• Isómeros SMILES: C(=O)(C(C(C(F)(F)F)(F)F)(F)F)OC(=O)C(C(C(F)(F)F)(F)F)(F)F
• WGK Alemania: 3
• Peso molecular: 410.06
• Beilstein: 856036
• Reaxy-Rn: 856036
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=856036&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: Perfluoroalkyl carboxylic acid and derivatives
• Alternative Parents: Dicarboxylic acids and derivatives Carboxylic acid anhydrides Alpha-halocarboxylic acid derivatives Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Perfluoroalkyl carboxylic acid or derivatives - Dicarboxylic acid or derivatives - Carboxylic acid anhydride - Alpha-halocarboxylic acid or derivatives - Alpha-halocarboxylic acid derivative - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Carbonyl group - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as perfluoroalkyl carboxylic acid and derivatives. These are organic compounds containing an alkyl chain attached to the C-alpha of a carboxylic acid group (or a derivative thereof), where all hydrogens of the alkyl chain are replaced by fluorine atoms.
• External Descriptors: organofluorine compound - acyclic carboxylic anhydride

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: Miscible with halogenated solvents. Immiscible with polar solvents.
• Sensibilidad: Humidity Sensitive
• Índice de refracción: 1.287
• Punto de ebullición (°C): 108-111°C
• Punto de fusión (°C): -43°C
• Peso molecular: 410.060 g/mol
• XLogP3: 4.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 17
• Rotatable Bond Count: 6
• Exact Mass: 409.962 Da
• Monoisotopic Mass: 409.962 Da
• Topological Polar Surface Area: 43.400 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 493.000
• 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

Referencias

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