2,2-Difluoroethyl Acetate - ≥98%(GC) , CAS No.1550-44-3

CAS: 1550-44-3 Cat. No.: D154397 分子式: C₄H₆F₂O₂ 分子量: 124.09 EC番号: 801-773-4

グレード＆純度 ≥98%(GC)

Synonyms

2,2-difluoroethyl acetate | 2,2-Difluoroethylacetate | acetic acid 2,2-difluoro-ethyl ester | Acetatic Acid 2,2-Difluoroethyl Ester | Ethanol, 2,2-difluoro-, 1-acetate | difluoroethylacetate | difluoroethyl acetate | acetic acid 2,2-difluoroethyl ester

Storage

Room temperature,Desiccated

Shipped In

Normal

仕様

同義語

2,2-difluoroethyl acetate | 2,2-Difluoroethylacetate | acetic acid 2,2-difluoro-ethyl ester | Acetatic Acid 2,2-Difluoroethyl Ester | Ethanol, 2,2-difluoro-, 1-acetate | difluoroethylacetate | difluoroethyl acetate | acetic acid 2,2-difluoroethyl ester

仕様と純度

≥98%(GC)

保管条件

Room temperature,Desiccated

入荷

Normal

純度

≥98%(GC)

名前と識別子

パブケム・シド

504757107

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504757107

カノニカル・スマイル

CC(=O)OCC(F)F

IUPAC Name

2,2-difluoroethyl acetate

InChIKey

PFJLHSIZFYNAHH-UHFFFAOYSA-N

INCHI

1S/C4H6F2O2/c1-3(7)8-2-4(5)6/h4H,2H2,1H3

異性体SMILES

CC(=O)OCC(F)F

分子量

124.09

Reaxy-Rn

1701853

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1701853&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 分類 Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 分類: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Carboxylic acid esters
• Alternative Parents: Monocarboxylic acids and derivatives Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carboxylic acid ester - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl fluoride - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester group).
• 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）: -2 °C
• 沸点（°C）: 106°C(lit.)
• 分子量: 124.090 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 124.034 Da
• Monoisotopic Mass: 124.034 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 82.100
• 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, 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, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

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 1550-44-3, the molecular formula is C4H6F2O2, and the molecular weight is 124.09 g/mol. InChIKey PFJLHSIZFYNAHH-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.