Methyl 4,4,4-trifluoroacetoacetate, 95%

Description

CAS: 83643-84-9 | C5H5F3O3 | 170.087 g/mol

It is used as a drug intermediate. It is a cyclization, oxidation and halogenating reaction catalyst.

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Applications
It is used as a drug intermediate. It is a cyclization, oxidation and halogenating reaction catalyst.

Notes
Store in cool dry condition. Incompatible with strong oxidizing agents. Ensure ventilation.

Specifications

Chemical Identifiers

• CAS: 83643-84-9
• Molecular Formula: C5H5F3O3
• Molecular Weight (g/mol): 170.087
• MDL Number: MFCD00041004
• InChI Key: LKMUBWWZTSZGGV-UHFFFAOYSA-N
• PubChem CID: 550266
• IUPAC Name: methyl 4,4,4-trifluoro-3-oxobutanoate
• SMILES: COC(=O)CC(=O)C(F)(F)F

• Density: 1.34
• Boiling Point: 117°C to 118°C
• Flash Point: 40°C (104°F)
• Refractive Index: 1.372
• Quantity: 5 g
• UN Number: UN3272
• Beilstein: 1777343
• Synonym: methyl trifluoroacetoacetate, methyl 4,4,4-trifluoroacetoacetate, 4,4,4-trifluoroacetoacetic acid methyl ester, methyl-4,4,4-trifluoro-3-oxobutanoate, butanoic acid, 4,4,4-trifluoro-3-oxo-, methyl ester, acmc-209psv, methyltri-fluoroacetoacetate, methyl4,4,4-trifluoroacetoacetate, methyl-4,4,4-trifluoroacetoacetate, methyl 3-oxo-4,4,4-trifluorobutyrate
• Formula Weight: 170.09
• Percent Purity: 95%
• Chemical Name or Material: Methyl 4,4,4-trifluoroacetoacetate

Safety and Handling

Hazard Category	H226-H315-H319-H335
Hazard Statement	GHS H Statement H301-H226-H315-H319-H335 Toxic if swallowed. Flammable liquid and vapor. Causes skin irritation. Causes serious eye irritation. May cause respiratory irritation.
Precautionary Statement	P210-P233-P235-P240-P241-P242-P243-P261-P264b-P271-P280-P303+P361+P353-P304+P340-P305+P351+P338-P312-P332+P313-P363-P370+P378q-P501c
DOTInformation	Transport Hazard Class: 3; Packing Group: III; Proper Shipping Name: ESTERS, N.O.S.
TSCA	No
Recommended Storage	Ambient temperatures

SDS

RUO – Research Use Only