Ammonium trifluoroacetate

Basic Information

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CAS Number

3336-58-1

Molecular Formula

C2H4F3NO2

Molecular Weight

131.05 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Fine Chemicals Specialty Chemicals UV Stabilizers

Electronic Chemicals Semiconductor Materials Etchants

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Water Treatment Chemicals Disinfectants Chlorine Compounds

Basic Physical Properties

Melting Point

123-125 °C

Boiling Point

72.2 °C at 760 mmHg

Water Solubility

Soluble in Water.

Flash Point

49.9 °C

Solubility

H2O: 0.1 g/mL at 25 °C, clear, colorless

SMILES

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

InChI

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

InChIKey

YCNIBOIOWCTRCL-UHFFFAOYSA-N

LogP

0.7952999999999999

Topological Polar Surface Area

72.3 Å²

Hydrogen Bond Donor/Acceptor

4 / 3

Complexity

83.4

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Sensitiveness

Hygroscopic

Synonyms & References

English

Ammonium trifluoroacetate
azane;2,2,2-trifluoroacetic acid
A821747
trifluoroacetic acid amine
ammonia; 2,2,2-trifluoroacetic acid
2,2,2-trifluoroacetic acid, ammonia salt
D94728
YKAYTEWKZUOACN-UHFFFAOYSA-N
amine-trifluoroacetic acid
Ammonium trifluoroacetate, 98%
AKOS007930672
3336-58-1
NSC148335
azane; 2,2,2-tris(fluoranyl)ethanoic acid
Trifluoroacetic acid ammonium salt
NSC-148335
SCHEMBL1951454
AS-58618
ammonium trifluoroacetate
AMMONIUM TRIFLUORACETATE
TRIFLUOROACETIC ACID AMMONIUM SALT
Acetic acid, trifluoro-, ammonium salt
azanium,2,2,2-trifluoroacetate
ammonium trifluoroacetate salt
trifluoroacetate ammonium salt

MDL Number

MFCD00012615

Customs Code

2923900090

FAQ

What regulatory guidelines apply to Ammonium trifluoroacetate (CAS: 3336-58-1)?

Ammonium trifluoroacetate (CAS: 3336-58-1) is regulated under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) and is classified as a toxic substance. It is also subject to the Registration, Evaluation, Authorisation and Restriction of Chemicals (REACH) regulations in the EU, which require manufacturers and importers to register the chemical if its annual production or import exceeds one tonne. In the USA, the Environmental Protection Agency (EPA) and the Food and Drug Administration (FDA) may have specific requirements for handling and disposing of this chemical.

Are there alternatives to Ammonium trifluoroacetate (CAS: 3336-58-1) in synthesis?

There are several alternatives to Ammonium trifluoroacetate (CAS: 3336-58-1) in synthesis, depending on the specific reaction conditions. Some common alternatives include trifluoroacetic acid, ammonium acetate, and ammonium chloride. Trifluoroacetic acid can be used directly, while ammonium acetate and ammonium chloride can be used in similar roles but may require additional steps to adjust the pH or buffer the reaction.

What is the market or research trend for Ammonium trifluoroacetate (CAS: 3336-58-1)?

Ammonium trifluoroacetate (CAS: 3336-58-1) remains relevant in advanced organic synthesis and analytical chemistry. Research trends indicate increasing interest in using trifluoroacetic acid derivatives for protecting groups and as strong acids in various chemical transformations. The market trend reflects steady demand in pharmaceuticals, fine chemicals, and analytical reagents. However, due to its toxicity and reactivity, there is also a growing focus on safer alternatives and green chemistry approaches.

How should waste containing Ammonium trifluoroacetate (CAS: 3336-58-1) be handled?

Waste containing Ammonium trifluoroacetate (CAS: 3336-58-1) should be collected in appropriate containers, labeled, and stored in a secure, well-ventilated area. The waste should be neutralized with a suitable base before disposal, and it should be handled by a professional hazardous waste disposal service. Proper precautions must be taken to prevent environmental contamination, and the disposal should comply with local, national, and international regulations. Safe disposal methods include incineration or chemical neutralization followed by disposal in a secure landfill.