Octafluoroadipic Acid - ≥98%(GC)(T) , CAS No.336-08-3

CAS: 336-08-3 Cat. No.: O159889 Formula: C₆H₂F₈O₄ Peso molecolare: 290.07 Beilstein Registry Number: 2(3)1724 Numero EC: 206-407-1

GRADE & PURITY ≥98%(GC)(T)

Synonyms

Hexanedioic acid, octafluoro- | NCGC00096750-01 | Octafluoroadipic acid | D78479 | NCGC00013638-02 | EINECS 206-407-1 | O0260 | NCGC00013638 | AKOS000114556 | CCG-36837 | DTXSID4059833 | 2,2,3,3,4,4,5,5-Octafluorohexanedioic acid # | NCIStruc2_001295 | di

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

Hexanedioic acid, octafluoro- | NCGC00096750-01 | Octafluoroadipic acid | D78479 | NCGC00013638-02 | EINECS 206-407-1 | O0260 | NCGC00013638 | AKOS000114556 | CCG-36837 | DTXSID4059833 | 2,2,3,3,4,4,5,5-Octafluorohexanedioic acid # | NCIStruc2_001295 | di

Specifiche e purezza

≥98%(GC)(T)

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%(GC)(T)

Nomi e identificatori

Pubchem Sid

488183971

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488183971

Sorrisi canonici

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

IUPAC Name

2,2,3,3,4,4,5,5-octafluorohexanedioic acid

InChIKey

AXRSOGFYDSXLQX-UHFFFAOYSA-N

INCHI

1S/C6H2F8O4/c7-3(8,1(15)16)5(11,12)6(13,14)4(9,10)2(17)18/h(H,15,16)(H,17,18)

Isomeri SMILES

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

Peso molecolare

290.07

Beilstein

2(3)1724

Reaxy-Rn

1813661

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1813661&ln=

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: 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
• Descrizione: 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

Obiettivi associati (umani)

CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)

Discover Target: CYP2D6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

Discover Target: CYP1A2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)

Discover Target: CYP2C9

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)

Discover Target: CYP2C19

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Meccanismi d'azione

Proprietà chimiche e fisiche

• Punto di fusione (°C): 134 °C
• Peso molecolare: 290.060 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 5
• Exact Mass: 289.983 Da
• Monoisotopic Mass: 289.983 Da
• Topological Polar Surface Area: 74.600 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 340.000
• 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

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 336-08-3, the molecular formula is C6H2F8O4, and the molecular weight is 290.07 g/mol. InChIKey AXRSOGFYDSXLQX-UHFFFAOYSA-N.

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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.