Perfluorotetradecanoic acid (PFTeDA) - Moligand™, ≥96% , CAS No.376-06-7

CAS: 376-06-7 Cat. No.: P281757 Formula: C₁₄HF₂₇O₂ Molecular Weight: 714.11 EC Number: 206-803-4 PubChem CID: 67822

GRADE & PURITY Moligand™, ≥96%

Synonyms

BROMOPYROGALLOLRED | CY7BGN3727 | 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptacosafluorotetradecanoic acid | FS-4146 | EINECS 206-803-4 | 1ST9510 | Perfluorotetradecanoic acid, analytical standard | Perfluorotetradecanoic acid, 9

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Perfluorotetradecanoic acid belongs to the class of perfluorinated compounds, which are found to be persistent in the environment with bioaccumulative potential. It is used in various commercial applications, including firefighting foams, detergents, insecticides, paper, food containers, as well as to produce photographic films and manufacture fat- and wate-resistant fabrics, etc. Perfluorotetradecanoic acid may be used as an analytical reference standard for the quantification of the analyte in water samples and Anguilla anguilla using high-performance liquid chromatography technique.

Specifications

Synonyms

BROMOPYROGALLOLRED | CY7BGN3727 | 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptacosafluorotetradecanoic acid | FS-4146 | EINECS 206-803-4 | 1ST9510 | Perfluorotetradecanoic acid, analytical standard | Perfluorotetradecanoic acid, 9

Specifications & Purity

Moligand™, ≥96%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Purity

≥96%

Names and Identifiers

Pubchem Sid

488184015

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488184015

Canonical Smiles

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

IUPAC Name

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptacosafluorotetradecanoic acid

InChIKey

RUDINRUXCKIXAJ-UHFFFAOYSA-N

INCHI

1S/C14HF27O2/c15-2(16,1(42)43)3(17,18)4(19,20)5(21,22)6(23,24)7(25,26)8(27,28)9(29,30)10(31,32)11(33,34)12(35,36)13(37,38)14(39,40)41/h(H,42,43)

Isomeric SMILES

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

PubChem CID

67822

Molecular Weight

714.11

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: 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
• Description: 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

Chemical and Physical Properties

• Solubility: It is insoluble in water.
• Boil Point(°C): 192°/60mm
• Melt Point(°C): 130-132℃
• Molecular Weight: 714.110 g/mol
• XLogP3: 9.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 29
• Rotatable Bond Count: 12
• Exact Mass: 713.955 Da
• Monoisotopic Mass: 713.955 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 43
• Formal Charge: 0
• Complexity: 1060.000
• 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