Ethyl perfluorononanoate - ≥98% , CAS No.30377-52-7

CAS: 30377-52-7 Cat. No.: E342124 Formule: C₁₁H₅F₁₇O₂ Poids moléculaire: 492.13 Numéro CE: 250-159-7

QUALITÉ & PURETÉ ≥98%

Synonyms

ethyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoate|Ethyl Heptadecafluorononanoate|Perfluorononanoic Acid Ethyl Ester|Heptadecafluorononanoic Acid Ethyl Ester|Heptadecafluorononanoic acid, ethyl ester|Nonanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-, ethyl ester|Ethyl Perfluorononanoate|ethyl perfluoropelargonate|Ethyl perfluorononan-1-oate

Storage

Room temperature

Shipped In

Normal

Spécifications

Synonymes

ethyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoate | Ethyl Heptadecafluorononanoate | Perfluorononanoic Acid Ethyl Ester | Heptadecafluorononanoic Acid Ethyl Ester | Heptadecafluorononanoic acid, ethyl ester | Nonanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-, ethyl ester | Ethyl Perfluorononanoate | ethyl pe Afficher plus

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

Pubchem Sid

488187656

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488187656

Sourires canoniques

CCOC(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

IUPAC Name

ethyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoate

InChIKey

DRLDSHOYANTUND-UHFFFAOYSA-N

INCHI

1S/C11H5F17O2/c1-2-30-3(29)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)28/h2H2,1H3

Isomères SMILES

CCOC(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

Poids moléculaire

492.13

Reaxy-Rn

2067890

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2067890&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Classe Alkyl halides
      • Subclass Alkyl fluorides
        • Level5 Perfluoroalkyl carboxylic acid and derivatives
          • Level6 Perfluorooctanoic acid and derivatives

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Classe: Alkyl halides
• Subclass: Alkyl fluorides
• Intermediate Tree Nodes: Perfluoroalkyl carboxylic acid and derivatives
• Direct Parent: Perfluorooctanoic 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: Perfluorooctanoic 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 perfluorooctanoic acid and derivatives. These are organic compounds containing an octyl chain attached to the C-alpha of a carboxylic acid group (or a derivative thereof), where all hydrogens of the octyl chain are replaced by fluorine atoms.
• External Descriptors: Not available

Data sources

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

Propriétés chimiques et physiques

• Point d'éclair (°C): 69 °C
• Point d'ébullition (°C): 158 °C
• Poids moléculaire: 492.130 g/mol
• XLogP3: 6.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 19
• Rotatable Bond Count: 9
• Exact Mass: 492.002 Da
• Monoisotopic Mass: 492.002 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 647.000
• 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

Foire aux questions

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 30377-52-7, the molecular formula is C11H5F17O2, and the molecular weight is 492.13 g/mol. InChIKey DRLDSHOYANTUND-UHFFFAOYSA-N.