Ethyl 4,4,4-trifluoro-2-butynoate, 97%

Description

CAS: 79424-03-6 | C6H5F3O2 | 166.099 g/mol

Ethyl 4,4,4-trifluoro-2-butynoate is the suitable reagent used to investigate the regioselectivity of the insertion reaction with cyclometalated iridium and rhodium complexes. It may be used in the preparation of ethyl (Z)-3-iodo-4,4,4-trifluoro-2-butenoate.

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
Ethyl 4,4,4-trifluoro-2-butynoate is the suitable reagent used to investigate the regioselectivity of the insertion reaction with cyclometalated iridium and rhodium complexes. It may be used in the preparation of ethyl (Z)-3-iodo-4,4,4-trifluoro-2-butenoate.

Solubility
Soluble in water (partly).

Notes
Stable under recommended storage conditions. Incompatible with oxidizing agents.

Specifications

Chemical Identifiers

• CAS: 79424-03-6
• Molecular Formula: C6H5F3O2
• Molecular Weight (g/mol): 166.099
• MDL Number: MFCD00192167
• InChI Key: SFDRHPQGYUYYNX-UHFFFAOYSA-N
• PubChem CID: 3597254
• IUPAC Name: ethyl 4,4,4-trifluorobut-2-ynoate
• SMILES: CCOC(=O)C#CC(F)(F)F

• Density: 1.162
• Boiling Point: 96°C to 98°C
• Flash Point: 6°C (43°F)
• Refractive Index: 1.35
• Linear Formula: CF₃C≡CCO₂CH₂CH₃
• Quantity: 1 g
• UN Number: UN3272
• Beilstein: 3539414
• Synonym: ethyl 4,4,4-trifluoro-2-butynoate, 4,4,4-trifluoro-2-butynoic acid ethyl ester, 4,4,4-trifluoro-but-2-ynoic acid ethyl ester, pubchem10880, acmc-1bc5r, ethyl4,4,4-trifluoro-2-butynoate, ethyl 4,4,4-trifluoro-2-butynate, trifluoro-2-butynoic acid ethyl ester, ethyl 4,4,4-trifluorobutynoate, ethyl 4,4,4-tris fluoranyl but-2-ynoate
• Solubility Information: Soluble in water (partly).
• Formula Weight: 166.1
• Percent Purity: 97%
• Chemical Name or Material: Ethyl 4,4,4-trifluoro-2-butynoate

Safety and Handling

Hazard Category	H225-H302+H312-H315-H319-H335
Hazard Statement	GHS H Statement H225-H315-H319-H335 Highly 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-P270-P271-P280-P301+P312-P303+P361+P353-P304+P340-P305+P351+P338-P312-P330-P332+P313-P363-P370+P378q-P501c
DOTInformation	Transport Hazard Class: 3; Packing Group: II; Proper Shipping Name: ESTERS, N.O.S.
TSCA	No
Recommended Storage	Ambient temperatures

SDS

RUO – Research Use Only