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Methyl Heptafluorobutyrate - 97%, high purity , CAS No.356-24-1

COA

Grade & Purity:

≥97%

Cas Number: 356-24-1
Molecular Weight: 228.07
Beilstein Registry Number: 2(4)812
MDL number: MFCD00000433
PubChem CID: 67741
PubChem SID: 488184002

In stock

Item Number

M158804

Grouped product items
SKU	Size	Availability	Price
M158804-5g	5g	5	$25.90
M158804-25g	25g	3	$73.90
M158804-100g	100g	2	$263.90

View related series

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

Basic Description

Synonyms	Methyl 2,2,3,3,4,4,4-heptafluorobutanoate
Specifications & Purity	≥97%
Shipped In	Normal
Product Description	Application： Methyl Heptafluorobutyrate is used in method for preparing high-carbon branched secondary Alcohol, and its application in preparing surfactant.

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 Methyl esters Alpha-halocarboxylic acid derivatives 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 derivative - Alpha-halocarboxylic acid or derivatives - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organofluoride - 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	488184002
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488184002
IUPAC Name	methyl 2,2,3,3,4,4,4-heptafluorobutanoate
INCHI	InChI=1S/C5H3F7O2/c1-14-2(13)3(6,7)4(8,9)5(10,11)12/h1H3
InChIKey	MRPUVAKBXDBGJQ-UHFFFAOYSA-N
Smiles	COC(=O)C(C(C(F)(F)F)(F)F)(F)F
Isomeric SMILES	COC(=O)C(C(C(F)(F)F)(F)F)(F)F
Molecular Weight	228.07
Beilstein	2(4)812
Reaxy-Rn	1792131
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1792131&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

4 results found

Lot Number	Certificate Type	Date	Item
E2413412	Certificate of Analysis	Mar 30, 2024	M158804
J2221621	Certificate of Analysis	Aug 12, 2022	M158804
J2221625	Certificate of Analysis	Aug 12, 2022	M158804
J2221379	Certificate of Analysis	Aug 12, 2022	M158804

Chemical and Physical Properties

Solubility	Slightly soluble in water; Soluble in Ether,Acetone
Refractive Index	1.29
Flash Point(°C)	-4 °C
Boil Point(°C)	81°C(lit.)
Molecular Weight	228.060 g/mol
XLogP3	2.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	3
Exact Mass	228.002 Da
Monoisotopic Mass	228.002 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	231.000
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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