Hexadecafluorosebacic Acid - ≥96%(T) , CAS No.307-78-8

CAS: 307-78-8 Cat. No.: H157284 Molecular Weight: 490.1 Beilstein Registry Number: 1898290 EC Number: 626-276-8

GRADE & PURITY ≥96%(T)

Synonyms

C10H2F16O4 | 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorodecanedioic acid | Hexadecafluorodecanedioic acid-5 g in glass bottle | FS-4248 | MFCD00042365 | Perfluorodecanedioic acid | YPCSMEGZIYWAAZ-UHFFFAOYSA-L | FT-0631930 | 2,2,3,3,4,4,5,5,6,6,7,7,8,8,

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

Hexadecafluorodecanedioic acid (Hexadecafluorosebacic acid) is a perfluoroalkanedicarboxylic acid, useful in the preparation of synthetic polymers. Negative surface-assisted laser desorption/ionization (SALDI) mass spectra of hexadecafluorosebacic acid has been reported.
Hexadecafluorodecanedioic acid (Perfluorosebacic acid) may be employed as dopant for the synthesis of three-dimensional boxlike microstructures assembled from 1D-nanofibers of polyaniline (PANI).It may be used for the synthesis of polymeric complex {[Mn(O2C(CF2)8CO2)(phen)2]H2O}n. Reactant involved in: 1. Studies of hydrogen peroxide disproportionation kinetics of manganese phenanthroline perfluorosebacato polymeric complex 2. Synthesis of cobalt phenanthroline perfluorosebacic acid complex 3. Reactions with zinc salt and phenanthroline

Specifications

Synonyms

C10H2F16O4 | 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 8, 8, 9, 9-hexadecafluorodecanedioic acid | Hexadecafluorodecanedioic acid-5 g in glass bottle | FS-4248 | MFCD00042365 | Perfluorodecanedioic acid | YPCSMEGZIYWAAZ-UHFFFAOYSA-L | FT-0631930 | 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 8, 8,

Specifications & Purity

≥96%(T)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥96%(T)

Names and Identifiers

• Pubchem Sid: 488192371
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192371
• Canonical Smiles: C(=O)(C(C(C(C(C(C(C(C(C(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
• IUPAC Name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorodecanedioic acid
• InChIKey: YPCSMEGZIYWAAZ-UHFFFAOYSA-N
• INCHI: 1S/C10H2F16O4/c11-3(12,1(27)28)5(15,16)7(19,20)9(23,24)10(25,26)8(21,22)6(17,18)4(13,14)2(29)30/h(H,27,28)(H,29,30)
• Isomeric SMILES: C(=O)(C(C(C(C(C(C(C(C(C(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
• WGK Germany: 3
• Molecular Weight: 490.1
• Beilstein: 1898290
• Reaxy-Rn: 1898292
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1898292&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Medium-chain fatty acids
• Alternative Parents: Halogenated fatty acids Dicarboxylic acids and derivatives Alpha-halocarboxylic acids Carboxylic acids Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Medium-chain fatty acid - Halogenated fatty acid - Dicarboxylic acid or derivatives - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organofluoride - Organohalogen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Alkyl fluoride - Alkyl halide - Organooxygen compound - Hydrocarbon derivative - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon 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

Chemical and Physical Properties

• Sensitivity: Moisture sensitive.
• Melt Point(°C): 162 °C
• Molecular Weight: 490.090 g/mol
• XLogP3: 4.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 20
• Rotatable Bond Count: 9
• Exact Mass: 489.97 Da
• Monoisotopic Mass: 489.97 Da
• Topological Polar Surface Area: 74.600 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 651.000
• 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

References

1. Xuewen Cai, Lu Zheng, Erdeng Du, Rui Ma, Jun Chen, Yao Wu, Jiayao Li, Xichen Wang, Mingguo Peng.  (2025)  Multispectral Analysis and Molecular Simulation of the Interactions Between Perfluorodecanoic Acid/Perfluorosebacic Acid and Human Serum Albumin.  JOURNAL OF MOLECULAR RECOGNITION,  38  (4): (e70008).  [PMID:40602794] [10.1002/jmr.70008]