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Methyl Nonafluorovalerate - ≥97.0%(GC), high purity , CAS No.13038-26-1

COA

Grade & Purity:

≥97%(GC)

Cas Number: 13038-26-1
Molecular Weight: 278.07
MDL number: MFCD00443384
PubChem CID: 526458
PubChem SID: 488190159

In stock

Item Number

M158807

Grouped product items
SKU	Size	Availability	Price
M158807-1g	1g	3	$33.90
M158807-5g	5g	3	$130.90
M158807-25g	25g	4	$585.90
M158807-100g	100g	2	$2,108.90

View related series

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

Basic Description

Synonyms	6-Methoxy-N-[(E)-(4-methylphenyl)methylidene]-1,3-benzothiazol-2-amine \| Methyl Perfluorovalerate \| Pentanoic acid, 2,2,3,3,4,4,5,5,5-nonafluoro-, methyl ester \| Methyl Nonafluoropentanoate \| SCHEMBL2690305 \| D91550 \| AS-77292 \| 5,6,7,8-Tetrahydro-2-napht
Specifications & Purity	≥97%(GC)
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 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	488190159
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488190159
IUPAC Name	methyl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate
INCHI	InChI=1S/C6H3F9O2/c1-17-2(16)3(7,8)4(9,10)5(11,12)6(13,14)15/h1H3
InChIKey	OSDPSOBLGQUCQX-UHFFFAOYSA-N
Smiles	COC(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
Isomeric SMILES	COC(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
Molecular Weight	278.07
Reaxy-Rn	1885042
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1885042&ln=

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

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Analytical Chart:

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8 results found

Lot Number	Certificate Type	Date	Item
F23161500	Certificate of Analysis	May 23, 2023	M158807
F23161514	Certificate of Analysis	May 23, 2023	M158807
F23161495	Certificate of Analysis	May 23, 2023	M158807
F23161496	Certificate of Analysis	May 23, 2023	M158807
F23161497	Certificate of Analysis	May 23, 2023	M158807
F23161505	Certificate of Analysis	May 23, 2023	M158807
F23161491	Certificate of Analysis	May 23, 2023	M158807
F2317058	Certificate of Analysis	May 23, 2023	M158807

Chemical and Physical Properties

Solubility	Insoluble in water
Flash Point(°C)	9 °C
Boil Point(°C)	102°C(lit.)
Molecular Weight	278.070 g/mol
XLogP3	3.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	4
Exact Mass	277.999 Da
Monoisotopic Mass	277.999 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	305.000
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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