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

CAS: 3336-58-1 Cat. No.: A485236 Molecular Weight: 131.05 EC Number: 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

Overview

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

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

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: 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
• Isomeric SMILES: C(=O)(C(F)(F)F)O.N
• WGK Germany: 3
• Molecular Weight: 131.05
• Reaxy-Rn: 4023460
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4023460&ln=

Chemical and Physical Properties

• Solubility: H2O: 10%, clear, colorless',
• Sensitivity: Hygroscopic
• Melt Point(°C): 123-125 °C (lit.)
• Molecular Weight: 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

References

1. Siyu Guo, Chao Huang, Chunmiao Bo, Shujuan Ma, Bolin Gong, Junjie Ou.  (2022)  Comparison of vancomycin-immobilized chiral stationary phase with its derivative for enantioseparation of drugs in high-performance liquid chromatography.  MICROCHEMICAL JOURNAL,      [PMID:] [10.1016/j.microc.2022.107566]