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

Catalog No. AAH5342503
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Quantity:
1 g
5 g

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.
TRUSTED_SUSTAINABILITY

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

Specifications

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
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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

RUO – Research Use Only

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