Perfluorotridecanoic acid（PFTrDA） - ≥97% , CAS No.72629-94-8

CAS: 72629-94-8 Cat. No.: P469602 Formula: C₁₃HF₂₅O₂ Peso molecolare: 664.11 Numero EC: 276-745-2 PubChem CID: 3018355

GRADE & PURITY ≥97%

Synonyms

DTXSID90868151 | EINECS 276-745-2 | Perfluorotridecanoic acid 50 microg/mL in Methanol:Water | Tridecanoic acid, pentacosafluoro- (9CI); 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-Pentacosafluorotridecanoic acid; PFTriDA; Perfluoro-n-tride

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

Purity Notes: Sum of isomers

Application

Perfluorotridecanoic Acid (Perfluorinated Compound (PFC)) is a perfluorinated alkyl acid (PFAA) and a possible organic pollutant

Specifications

Sinonimi

DTXSID90868151 | EINECS 276-745-2 | Perfluorotridecanoic acid 50 microg/mL in Methanol:Water | Tridecanoic acid, pentacosafluoro- (9CI); 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-Pentacosafluorotridecanoic acid; PFTriDA; Perfluoro-n-tride

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥97%

Nomi e identificatori

Pubchem Sid

504762320

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504762320

Sorrisi canonici

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

IUPAC Name

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-pentacosafluorotridecanoic acid

InChIKey

LVDGGZAZAYHXEY-UHFFFAOYSA-N

INCHI

1S/C13HF25O2/c14-2(15,1(39)40)3(16,17)4(18,19)5(20,21)6(22,23)7(24,25)8(26,27)9(28,29)10(30,31)11(32,33)12(34,35)13(36,37)38/h(H,39,40)

Isomeri SMILES

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

PubChem CID

3018355

Peso molecolare

664.11

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Long-chain fatty acids
• Alternative Parents: Perfluoroalkyl carboxylic acid and derivatives Halogenated fatty acids Alpha-halocarboxylic acids Monocarboxylic acids and derivatives Carboxylic acids Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Long-chain fatty acid - Perfluoroalkyl carboxylic acid or derivatives - Halogenated fatty acid - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Monocarboxylic 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
• Descrizione: This compound belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 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

Proprietà chimiche e fisiche

• Solubilità: Solubility：Acetone (Slightly), DMSO (Slightly), Methanol (Very Slightly)
• Punto di fusione (°C): 123 – 125°C
• Peso molecolare: 664.100 g/mol
• XLogP3: 8.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 27
• Rotatable Bond Count: 11
• Exact Mass: 663.958 Da
• Monoisotopic Mass: 663.958 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 40
• Formal Charge: 0
• Complexity: 970.000
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 72629-94-8, the molecular formula is C13HF25O2, and the molecular weight is 664.11 g/mol. InChIKey LVDGGZAZAYHXEY-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.