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

CAS: 3107-98-0 Cat. No.: D154396 分子式: C₈H₆F₈O₄ 分子量: 318.12 EC番号: 670-440-1

グレード＆純度 ≥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

仕様

同義語

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

仕様と純度

≥97%

保管条件

Room temperature

入荷

Normal

純度

≥97%

名前と識別子

パブケム・シド

488192866

パブケム・シド・ウル

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

カノニカル・スマイル

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

異性体SMILES

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

分子量

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
    • 分類 Fatty Acyls
      • Subclass Fatty acid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 屈折率: 1.35
• 引火点（°C）: 71 °C
• 沸点（°C）: 123°C/50mmHg(lit.)
• 分子量: 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

よくある質問

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.