Ammonium trifluoroacetate

C₂H₄F₃NO₂CAS 3336-58-1131.05 g/mol

Open in Covalent MOL file

Alkyl halide Carboxylic acid

Properties

Molecular formula: C₂H₄F₃NO₂
Molar mass: 131.05 g/mol
Exact mass: 131.0194 Da
Melting point: 124 °C
logP: 0.80Crippen estimate
Polar surface area: 72.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 0

Hazards

Danger

H300 Fatal if swallowed74.5% of notifiers
H315 Causes skin irritation25.5% of notifiers
H319 Causes serious eye irritation25.5% of notifiers
H335 May cause respiratory irritation25.5% of notifiers
H400 Very toxic to aquatic life69.1% of notifiers

Aggregated from 55 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

3336-58-1

SMILES

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

InChIKey

YCNIBOIOWCTRCL-UHFFFAOYSA-N

InChI

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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

2 names

Acetic acid, 2,2,2-trifluoro-, ammonium salt (1:1)
Acetic acid, trifluoro-, ammonium salt

Work with Ammonium trifluoroacetate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Trifluoroacetic acid76-05-1Free acid Trifluoroacetic acid-d599-00-8Free acid, labelled Sodium trifluoroacetate2923-18-4Salt Mercuric trifluoroacetate13257-51-7Salt Silver trifluoroacetate2966-50-9Salt N-Methylanilinium trifluoroacetate29885-95-8Salt Pyridinium trifluoroacetate464-05-1Salt Thallium(III) trifluoroacetate23586-53-0Salt Copper(II) trifluoroacetate hydrate123333-88-0Salt Lithium trifluoroacetate2923-17-3Salt Potassium trifluoroacetate2923-16-2Salt LL-37 (human) trifluoroacetate salt597562-32-8Salt

Similar compounds

Rhodium (II) Trifluoroacetate dimer31126-95-171 % similar 2,2,3,3-Tetrafluorobutanedioic acid377-38-850 % similar Ammonium perfluorooctanoate3825-26-147 % similar 1-Fluoro-cyclopropanecarboxylic acid137081-41-544 % similar 2,2,3,3,4,4,5,5-Octafluorohexanedioic acid336-08-344 % similar 2-Bromo-2,2-difluoroacetic acid354-08-544 % similar 2,2-Difluoropropanoic acid373-96-644 % similar Hexafluoroglutaric acid376-73-844 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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