Ammonium trifluoroacetate - ≥98% , CAS No.3336-58-1

CAS: 3336-58-1 Cat. No.: A485236 Summenformel: CF₃CO₂NH₄ Molekulargewicht: 131.05 EG-Nummer: 222-072-4

GRADE & PURITY ≥98%

Synonyms

azane;2,2,2-trifluoroacetic acid | Ammonium trifluoroacetate | trifluoroacetic acid amine | amine-trifluoroacetic acid | Ammonium trifluoroacetate, 98% | SCHEMBL1951454 | YKAYTEWKZUOACN-UHFFFAOYSA-N | Trifluoroacetic acid ammonium salt | NSC148335

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Übersicht

Product Application:

Used in the synthesis of hexafluoro-2-aminopentan-4-one ligand， and in tuning and calibrating new liquid chromatography/mass spectrometry systems.

Specifications

Synonyme

azane;2,2,2-trifluoroacetic acid | Ammonium trifluoroacetate | trifluoroacetic acid amine | amine-trifluoroacetic acid | Ammonium trifluoroacetate, 98% | SCHEMBL1951454 | YKAYTEWKZUOACN-UHFFFAOYSA-N | Trifluoroacetic acid ammonium salt | NSC148335

Spezifikationen & Reinheit

≥98%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

508811491

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508811491

Kanonisches Lächeln

C(=O)(C(F)(F)F)O.N

IUPAC Name

azane;2,2,2-trifluoroacetic acid

InChIKey

YCNIBOIOWCTRCL-UHFFFAOYSA-N

INCHI

1S/C2HF3O2.H3N/c3-2(4,5)1(6)7;/h(H,6,7);1H3

Isomere SMILES

C(=O)(C(F)(F)F)O.N

WGK Deutschland

3

Molekulargewicht

131.05

Reaxy-Rn

4023460

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4023460&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Carboxylic acids and derivatives
      • Subclass Alpha-halocarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Carboxylic acids and derivatives
• Subclass: Alpha-halocarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Alpha-halocarboxylic acids
• Alternative Parents: Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Organofluorides Organic salts Organic oxides Organic nitrogen compounds Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-halocarboxylic acid - Carboxylic acid salt - Carboxylic acid - Monocarboxylic acid or derivatives - Alkyl fluoride - Organic salt - Organooxygen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Alkyl halide - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as alpha-halocarboxylic acids. These are carboxylic acids containing a halogen atom bonded to the alpha carbon 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

Chemische und physikalische Eigenschaften

• Löslichkeit: H2O: 10%, clear, colorless',
• Empfindlichkeit: Hygroscopic
• Schmelzpunkt (°C): 123-125 °C (lit.)
• Molekulargewicht: 131.050 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 131.019 Da
• Monoisotopic Mass: 131.019 Da
• Topological Polar Surface Area: 38.300 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 83.400
• 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: 2

XLogP3