Sodium perfluorooctanoate - ≥97% , CAS No.335-95-5

CAS: 335-95-5 Cat. No.: S303470 Formula: C₈F₁₅O₂Na Peso molecolare: 436.05 Numero EC: 206-404-5 PubChem CID: 23667657

GRADE & PURITY ≥97%

Synonyms

Perfluorooctanoic acid sodium salt | FT-0754816 | MFCD00040394 | perfluoroctanonic acid, sodium salt | Sodium perfluorocaprylate | AKOS005256394 | Octanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-, sodium salt (1:1) | J-019264 | NSC-133451 | 6

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

Perfluorooctanoic acid sodium salt | FT-0754816 | MFCD00040394 | perfluoroctanonic acid, sodium salt | Sodium perfluorocaprylate | AKOS005256394 | Octanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-, sodium salt (1:1) | J-019264 | NSC-133451 | 6

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

Pubchem Sid

488200432

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488200432

Sorrisi canonici

C(=O)(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)[O-].[Na+]

IUPAC Name

sodium;2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoate

InChIKey

LWHQXUODFPPQTL-UHFFFAOYSA-M

INCHI

1S/C8HF15O2.Na/c9-2(10,1(24)25)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23;/h(H,24,25);/q;+1/p-1

Isomeri SMILES

C(=O)(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)[O-].[Na+]

PubChem CID

23667657

Peso molecolare

436.05

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Classe: Alkyl halides
• Subclass: Alkyl fluorides
• Intermediate Tree Nodes: Not available
• Direct Parent: Perfluoroalkyl carboxylic acid and derivatives
• Alternative Parents: Medium-chain fatty acids Halogenated fatty acids Alpha-halocarboxylic acids Carboxylic acid salts Organic metal halides Monocarboxylic acids and derivatives Carboxylic acids Organofluorides Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Perfluoroalkyl carboxylic acid or derivatives - Medium-chain fatty acid - Halogenated fatty acid - Fatty acid - Fatty acyl - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Carboxylic acid salt - Organic alkali metal salt - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic metal halide - Organic salt - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organic oxide - Carbonyl group - Organic oxygen compound - Organic sodium salt - Organic cation - Aliphatic acyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Solubilità: Soluble in water.
• Punto di infiammabilità (°C): 62.1°C
• Punto di ebollizione (°C): 188°C
• Punto di fusione (°C): 277-280(dec.)
• Peso molecolare: 436.050 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 17
• Rotatable Bond Count: 6
• Exact Mass: 435.956 Da
• Monoisotopic Mass: 435.956 Da
• Topological Polar Surface Area: 40.100 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 536.000
• 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: 2

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