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Ethyl Heptafluorobutyrate - >97.0%(GC), high purity , CAS No.356-27-4

COA

Grade & Purity:

≥97%(GC)

Cas Number: 356-27-4
Molecular Weight: 242.09
Beilstein Registry Number: 1794630
MDL number: MFCD00000434
PubChem CID: 9644
PubChem SID: 488181009

In stock

Item Number

E156448

Grouped product items
SKU	Size	Availability	Price
E156448-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$10.90
E156448-5g	5g	4	$24.90
E156448-25g	25g	4	$89.90
E156448-100g	100g	3	$239.90

View related series

Carbonyl compound (2335) Non heterocyclic fluorine-containing block (1408)

Basic Description

Synonyms	2,2,3,3,4,4,4-Heptafluoro-butyric acid ethyl ester \| Heptafluoro-n-butyric acid ethyl ester \| NSC 3639 \| LS-13118 \| Butanoic acid, heptafluoro-, ethyl ester \| MFCD00000434 \| Heptafluorobutyric acid ethyl ester \| heptafluoro-butyric acid ethyl ester \| NSC3
Specifications & Purity	≥97%(GC)
Storage Temp	Argon charged
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organohalogen compounds
  - Class Alkyl halides
    - Subclass Alkyl fluorides

Kingdom	Organic compounds
Superclass	Organohalogen compounds
Class	Alkyl halides
Subclass	Alkyl fluorides
Intermediate Tree Nodes	Not available
Direct Parent	Perfluoroalkyl carboxylic acid and derivatives
Alternative Parents	Fatty acid esters Alpha-halocarboxylic acid derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic acyclic compounds
Substituents	Perfluoroalkyl carboxylic acid or derivatives - Fatty acid ester - Fatty acyl - Alpha-halocarboxylic acid or derivatives - Alpha-halocarboxylic acid derivative - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Carbonyl group - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as perfluoroalkyl carboxylic acid and derivatives. These are organic compounds containing an alkyl chain attached to the C-alpha of a carboxylic acid group (or a derivative thereof), where all hydrogens of the alkyl chain are replaced by fluorine atoms.
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

Pubchem Sid	488181009
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488181009
IUPAC Name	ethyl 2,2,3,3,4,4,4-heptafluorobutanoate
INCHI	InChI=1S/C6H5F7O2/c1-2-15-3(14)4(7,8)5(9,10)6(11,12)13/h2H2,1H3
InChIKey	JVHJRIQPDBCRRE-UHFFFAOYSA-N
Smiles	CCOC(=O)C(C(C(F)(F)F)(F)F)(F)F
Isomeric SMILES	CCOC(=O)C(C(C(F)(F)F)(F)F)(F)F
WGK Germany	3
RTECS	ET4200000
UN Number	3272
Packing Group	II
Molecular Weight	242.09
Beilstein	1794630
Reaxy-Rn	1794634
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1794634&ln=

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

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

Analytical Chart:

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16 results found

Lot Number	Certificate Type	Date	Item
H2409151	Certificate of Analysis	Apr 16, 2024	E156448
I2308793	Certificate of Analysis	Aug 28, 2023	E156448
I2308795	Certificate of Analysis	Aug 28, 2023	E156448
I2308794	Certificate of Analysis	Aug 28, 2023	E156448
D2328134	Certificate of Analysis	Apr 18, 2023	E156448
D2328112	Certificate of Analysis	Apr 18, 2023	E156448
D2328138	Certificate of Analysis	Apr 18, 2023	E156448
D2328118	Certificate of Analysis	Apr 18, 2023	E156448
D2328124	Certificate of Analysis	Apr 18, 2023	E156448
K2224915	Certificate of Analysis	Nov 03, 2022	E156448
K2224892	Certificate of Analysis	Nov 03, 2022	E156448
K2224900	Certificate of Analysis	Nov 03, 2022	E156448
B2318399	Certificate of Analysis	Nov 03, 2022	E156448
B2223436	Certificate of Analysis	Feb 25, 2022	E156448
B2223602	Certificate of Analysis	Feb 25, 2022	E156448
B2223611	Certificate of Analysis	Feb 25, 2022	E156448

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Chemical and Physical Properties

Solubility	Slightly soluble in water; Soluble in Ether
Sensitivity	Moisture sensitive.
Refractive Index	1.3
Flash Point(°F)	57.2 °F
Flash Point(°C)	14°C(lit.)
Boil Point(°C)	96°C(lit.)
Molecular Weight	242.090 g/mol
XLogP3	2.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	4
Exact Mass	242.018 Da
Monoisotopic Mass	242.018 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	244.000
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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