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Ethyl 5,5,5-trifluoro-2,4-dioxopentanoate - 95%, high purity , CAS No.893643-18-0

COA

Grade & Purity:

≥95%

Cas Number: 893643-18-0
Molecular Weight: 212.12
PubChem CID: 19576760

In stock

Item Number

E590598

Grouped product items
SKU	Size	Availability	Price
E590598-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$33.90
E590598-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$99.90
E590598-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$453.90

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Catalysts and ligands (36)

Basic Description

Synonyms	5,5,5-Trifluoro-2,4-dioxopentanoic acid ethyl ester \| 5,5,5-trifluoro-2,4-dioxo-pentanoic acid ethyl ester \| SY046439 \| ethyl 5,5,5-trifluoro-2,4-dioxopentanoate \| Ethyl 5,5,5-Trifluoro-2,4-dioxo-pentanoate \| Pentanoic acid, 5,5,5-trifluoro-2,4-dioxo-, et
Specifications & Purity	≥95%
Storage Temp	Store at 2-8°C,Desiccated
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Keto acids and derivatives
    - Subclass Gamma-keto acids and derivatives

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Keto acids and derivatives
Subclass	Gamma-keto acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	3-Acylpyruvic acids
Alternative Parents	Fatty acid esters Beta-diketones Alpha-keto acids and derivatives Alpha-haloketones Carboxylic acid esters Monocarboxylic acids and derivatives Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aliphatic acyclic compounds
Substituents	3-acylpyruvic acid - Fatty acid ester - 1,3-diketone - Alpha-keto acid - Fatty acyl - 1,3-dicarbonyl compound - Alpha-haloketone - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Alkyl fluoride - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Alkyl halide - Organohalogen compound - Organofluoride - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as 3-acylpyruvic acids. These are compounds containing a pyruvic acid substituted at the 3-position by an acyl group.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	ethyl 5,5,5-trifluoro-2,4-dioxopentanoate
INCHI	InChI=1S/C7H7F3O4/c1-2-14-6(13)4(11)3-5(12)7(8,9)10/h2-3H2,1H3
InChIKey	ZFRNSFONDYEARZ-UHFFFAOYSA-N
Smiles	CCOC(=O)C(=O)CC(=O)C(F)(F)F
Isomeric SMILES	CCOC(=O)C(=O)CC(=O)C(F)(F)F
Molecular Weight	212.12
Reaxy-Rn	5933491
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5933491&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	212.120 g/mol
XLogP3	1.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Exact Mass	212.03 Da
Monoisotopic Mass	212.03 Da
Topological Polar Surface Area	60.400 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	256.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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