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Ammonium trifluoroacetate

CAT: 0804-HY-W105853-01Size: 25 gDry Ice: NoHazardous: No
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CAT#:0804-HY-W105853-01Size:25 g
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Description
Ammonium trifluoroacetate is an additive for regulating and calibrating new liquid/mass spectrometry systems[1].
CAS Number
3336-58-1
Product Name Alternative
Trifluoroacetic acid amine
UNSPSC
12352200
Hazard Statement
H315, H319, H335
Target
Biochemical Assay Reagents
Type
Biochemical Assay Reagents
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/ammonium-trifluoroacetate.html
Purity
99.29
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C(C(F)(F)F)O.N
Molecular Formula
C2H4F3NO2
Molecular Weight
131.05
Precautions
H315, H319, H335
References & Citations
[1]Holder NL, et al. Applications of ammonium trifluoroacetate as an additive for elution of chiral acids and bases from derivatized polysaccharide stationary phases. Chirality. 2005;17 Suppl:S84-92.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture)
Scientific Category
Biochemical Assay Reagents
Clinical Information
No Development Reported

Chemical Information

Ammonium trifluoroacetate
CAS Number3336-58-1
PubChem CID2724268
IUPAC Nameazanium 2,2,2-trifluoroacetate
Molecular FormulaC2H4F3NO2
Molecular Weight131.05
Topological Polar Surface Area41.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity77
SMILES
C(=O)(C(F)(F)F)[O-].[NH4+]
InChI
InChI=1S/C2HF3O2.H3N/c3-2(4,5)1(6)7;/h(H,6,7);1H3
InChIKey
YCNIBOIOWCTRCL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ammonium trifluoroacetate
CAS: 3336-58-1
CID: 2724268
Formula: C2H4F3NO2
MW: 131.05
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight131.05
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Exact Mass131.01941286
Monoisotopic Mass131.01941286
Topological Polar Surface Area41.1 Ų
Heavy Atom Count8
Formal Charge0
Complexity77.9
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes