Tridecafluoroheptanoic Acid High Grade [Ion-Pair Reagent for LC-MS] - ≥98%(T) , CAS No.375-85-9

CAS: 375-85-9 Cat. No.: T162329 Peso molecular: 364.06 Beilstein Registry Number: 1808210 Número EC: 206-798-9 PubChem CID: 67818

GRADE & PURITY ≥98%(T)

Synonyms

Perfluoroheptanoic Acid High Grade | PFHpA | AKOS000274171 | FT-0632060 | C6F13COOH | C7HF13O2 | NCGC00254530-01 | 4EI | Heptanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro- | Perfluoroheptanoicacid | EN300-1704061 | Heptanoic acid, tridecafluoro- | T

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

Perfluoroheptanoic Acid High Grade | PFHpA | AKOS000274171 | FT-0632060 | C6F13COOH | C7HF13O2 | NCGC00254530-01 | 4EI | Heptanoic acid, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 7-tridecafluoro- | Perfluoroheptanoicacid | EN300-1704061 | Heptanoic acid, tridecafluoro- | T

Especificaciones y pureza

≥98%(T)

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%(T)

Nombres e identificadores

• Sonrisas canónicas: C(=O)(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
• IUPAC Name: 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoic acid
• InChIKey: ZWBAMYVPMDSJGQ-UHFFFAOYSA-N
• INCHI: 1S/C7HF13O2/c8-2(9,1(21)22)3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)20/h(H,21,22)
• Isómeros SMILES: C(=O)(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
• WGK Alemania: 3
• PubChem CID: 67818
• Número ONU: 3261
• Grupo de embalaje: III
• Peso molecular: 364.06
• Beilstein: 1808210
• Reaxy-Rn: 1808210

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: Medium-chain fatty acids Halogenated fatty acids Alpha-halocarboxylic acids Monocarboxylic acids and derivatives Carboxylic acids Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Perfluoroalkyl carboxylic acid or derivatives - Medium-chain fatty acid - Halogenated fatty acid - Fatty acyl - Fatty acid - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organic oxide - Organofluoride - Organooxygen compound - 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: fluoroalkanoic acid

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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: light sensitive;Moisture sensitive
• Índice de refracción: 1.3
• Punto de inflamación (°F): >235.4 °F
• Punto de inflamación (°C): >110℃
• Punto de ebullición (°C): 177°C
• Punto de fusión (°C): 30°C
• Peso molecular: 364.060 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 5
• Exact Mass: 363.977 Da
• Monoisotopic Mass: 363.977 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 448.000
• 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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