Dimethyl Octafluoroadipate - ≥97% , CAS No.3107-98-0

CAS: 3107-98-0 Cat. No.: D154396 Formule: C₈H₆F₈O₄ Poids moléculaire: 318.12 Numéro CE: 670-440-1

QUALITÉ & PURETÉ ≥97%

Synonyms

Dimethyl Octafluorohexanedioate | D3590 | AKOS003788953 | Dimethyl perfluorohexanedioate | dimethyl 2,2,3,3,4,4,5,5-octakis(fluoranyl)hexanedioate | Dimethyl Perfluoroadipate | Hexanedioic acid, octafluoro-, dimethyl ester | SCHEMBL497763 | Hexanedioic ac

Storage

Room temperature

Shipped In

Normal

Spécifications

Synonymes

Dimethyl Octafluorohexanedioate | D3590 | AKOS003788953 | Dimethyl perfluorohexanedioate | dimethyl 2,2,3,3,4,4,5,5-octakis(fluoranyl)hexanedioate | Dimethyl Perfluoroadipate | Hexanedioic acid, octafluoro-, dimethyl ester | SCHEMBL497763 | Hexanedioic ac

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥97%

Noms et identifiants

Pubchem Sid

488192866

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488192866

Sourires canoniques

COC(=O)C(C(C(C(C(=O)OC)(F)F)(F)F)(F)F)(F)F

IUPAC Name

dimethyl 2,2,3,3,4,4,5,5-octafluorohexanedioate

InChIKey

XPXVIIILXUOEQA-UHFFFAOYSA-N

INCHI

1S/C8H6F8O4/c1-19-3(17)5(9,10)7(13,14)8(15,16)6(11,12)4(18)20-2/h1-2H3

Isomères SMILES

COC(=O)C(C(C(C(C(=O)OC)(F)F)(F)F)(F)F)(F)F

Poids moléculaire

318.12

Reaxy-Rn

1916112

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1916112&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Fatty Acyls
      • Subclass Fatty acid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Fatty Acyls
• Subclass: Fatty acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty acid esters
• Alternative Parents: Dicarboxylic acids and derivatives Methyl esters Alpha-halocarboxylic acid derivatives Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid ester - Dicarboxylic acid or derivatives - Alpha-halocarboxylic acid derivative - Alpha-halocarboxylic acid or derivatives - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Organofluoride - Organohalogen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Alkyl fluoride - Organooxygen compound - Alkyl halide - Hydrocarbon derivative - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid.
• 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

Propriétés chimiques et physiques

• Indice de réfraction: 1.35
• Point d'éclair (°C): 71 °C
• Point d'ébullition (°C): 123°C/50mmHg(lit.)
• Poids moléculaire: 318.120 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 7
• Exact Mass: 318.014 Da
• Monoisotopic Mass: 318.014 Da
• Topological Polar Surface Area: 52.600 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 367.000
• 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

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 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 3107-98-0, the molecular formula is C8H6F8O4, and the molecular weight is 318.12 g/mol. InChIKey XPXVIIILXUOEQA-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.