Acide nonadécafluorodécanoïque - ≥98%(T) , CAS No.335-76-2

CAS: 335-76-2 Cat. No.: N159585 Formule: C₁₀HF₁₉O₂ Poids moléculaire: 514.09 Numéro CE: 206-400-3

GRADE & PURITY ≥98%(T)

Synonyms

W5XW2B8Q9E | 1ST9505 | UNII-W5XW2B8Q9E | CHEBI:35546 | EINECS 206-400-3 | MFCD00004175 | BRN 1810811 | AT23290 | NCGC00254470-01 | Perfluorocapric acid | AKOS015852877 | Perfluoro-N-decanoic acid | PFDA | Perfluorodecanoic acid | Ndfda | PERFLUORO-1-NONAN

Storage

Room temperature

Shipped In

Normal

Vue d’ensemble

La minéralisation électrochimique de l'acide perfluorodécanoïque persistant dans l'environnement a été étudiée

Specifications

Synonymes

W5XW2B8Q9E | 1ST9505 | UNII-W5XW2B8Q9E | CHEBI:35546 | EINECS 206-400-3 | MFCD00004175 | BRN 1810811 | AT23290 | NCGC00254470-01 | Perfluorocapric acid | AKOS015852877 | Perfluoro-N-decanoic acid | PFDA | Perfluorodecanoic acid | Ndfda | PERFLUORO-1-NONAN

Spécifications et pureté

≥98%(T)

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%(T)

Product Line

N159585-1g

Noms et identifiants

Pubchem Sid

488180992

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488180992

Sourires canoniques

C(=O)(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)O

IUPAC Name

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecanoic acid

InChIKey

PCIUEQPBYFRTEM-UHFFFAOYSA-N

INCHI

1S/C10HF19O2/c11-2(12,1(30)31)3(13,14)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)29/h(H,30,31)

Isomères SMILES

C(=O)(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)O

WGK Allemagne

3

RTECS

HD9900000

Numéro ONU

2811

Groupe d'emballage

I

Poids moléculaire

514.09

Reaxy-Rn

1810811

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1810811&ln=

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 Monocarboxylic acids and derivatives Carboxylic acids Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Perfluoroalkyl carboxylic acid or derivatives - Medium-chain fatty acid - Halogenated fatty acid - Fatty acyl - Fatty acid - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organic oxide - Organofluoride - Organooxygen compound - Aliphatic acyclic compound
• Description: 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: fluoroalkanoic acid

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

Cibles associées (humaines)

ESR1 Tclin Estrogen receptor alpha (17718 Activities)

Discover Target: ESR1

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

NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

Discover Target: NR3C1

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

RXRA Tclin Retinoid X receptor alpha (3637 Activities)

Discover Target: RXRA

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

TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

Discover Target: TP53

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: methanol: soluble 10%, clear to very slightly hazy, colorless to faintly yellow
• Point d'éclair (°F): 82.7±25.9°C
• Point d'éclair (°C): 82.7±25.9°C
• Point d'ébullition (°C): 145°C/100 mmHg
• Point de fusion (°C): 88°C
• Poids moléculaire: 514.080 g/mol
• XLogP3: 6.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 21
• Rotatable Bond Count: 8
• Exact Mass: 513.967 Da
• Monoisotopic Mass: 513.967 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 701.000
• 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

Foire aux questions

How should this product be stored?

Store at room temperature.

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 335-76-2, the molecular formula is C10HF19O2, and the molecular weight is 514.09 g/mol. InChIKey PCIUEQPBYFRTEM-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.