Perfluoropentanoic anhydride , CAS No.308-28-1

CAS: 308-28-1 Cat. No.: P1357504 分子式: C₁₀O₃F₁₈ 分子量: 510.07 EC番号: 808-248-9 PubChem CID: 2769668

Storage

Room temperature

Shipped In

Normal

Specifications

保管条件

Room temperature

入荷

Normal

名前と識別子

• カノニカル・スマイル: C(=O)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)OC(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
• IUPAC Name: 2,2,3,3,4,4,5,5,5-nonafluoropentanoyl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate
• InChIKey: YHNMNWOUFKIZLY-UHFFFAOYSA-N
• INCHI: 1S/C10F18O3/c11-3(12,5(15,16)7(19,20)9(23,24)25)1(29)31-2(30)4(13,14)6(17,18)8(21,22)10(26,27)28
• 異性体SMILES: C(=O)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)OC(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
• PubChem CID: 2769668
• 分子量: 510.07

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • 分類 Alkyl halides
      • Subclass Alkyl fluorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• 分類: Alkyl halides
• Subclass: Alkyl fluorides
• Intermediate Tree Nodes: Not available
• Direct Parent: Perfluoroalkyl carboxylic acid and derivatives
• Alternative Parents: Dicarboxylic acids and derivatives Carboxylic acid anhydrides Alpha-halocarboxylic acid derivatives Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Perfluoroalkyl carboxylic acid or derivatives - Dicarboxylic acid or derivatives - Carboxylic acid anhydride - Alpha-halocarboxylic acid or derivatives - Alpha-halocarboxylic acid derivative - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Carbonyl group - Aliphatic acyclic compound
• 説明: 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

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

化学的性質と物理的性質

• 分子量: 510.080 g/mol
• XLogP3: 6.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 21
• Rotatable Bond Count: 8
• Exact Mass: 509.956 Da
• Monoisotopic Mass: 509.956 Da
• Topological Polar Surface Area: 43.400 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 653.000
• 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

よくある質問

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 308-28-1, the molecular formula is C10O3F18, and the molecular weight is 510.07 g/mol. InChIKey YHNMNWOUFKIZLY-UHFFFAOYSA-N.

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.