Ethyl chlorofluoroacetate - ≥98%(GC) , CAS No.401-56-9

CAS: 401-56-9 Cat. No.: E138797 分子式: Cl(F)CHCO₂C₂H₅ 分子量: 140.54 Beilstein Registry Number: 2(4)493 EC番号: 206-930-5

GRADE & PURITY ≥98%(GC)

Synonyms

Acetic acid, 2-chloro-2-fluoro-, ethyl ester | Ethyl chlorofluoroacetate | AKOS005255093 | WUHVJSONZHSDFC-UHFFFAOYSA- | Chlorofluoroacetic Acid Ethyl Ester | EINECS 206-930-5 | InChI=1/C4H6ClFO2/c1-2-8-4(7)3(5)6/h3H,2H2,1H3 | AMY3056 | Acetic acid, chloro

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

同義語

Acetic acid, 2-chloro-2-fluoro-, ethyl ester | Ethyl chlorofluoroacetate | AKOS005255093 | WUHVJSONZHSDFC-UHFFFAOYSA- | Chlorofluoroacetic Acid Ethyl Ester | EINECS 206-930-5 | InChI=1/C4H6ClFO2/c1-2-8-4(7)3(5)6/h3H,2H2,1H3 | AMY3056 | Acetic acid, chloro

仕様と純度

≥98%(GC)

保管条件

Store at 2-8°C,Argon charged

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%(GC)

名前と識別子

パブケム・シド

504756490

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504756490

カノニカル・スマイル

CCOC(=O)C(F)Cl

IUPAC Name

ethyl 2-chloro-2-fluoroacetate

InChIKey

WUHVJSONZHSDFC-UHFFFAOYSA-N

INCHI

1S/C4H6ClFO2/c1-2-8-4(7)3(5)6/h3H,2H2,1H3

異性体SMILES

CCOC(=O)C(F)Cl

WGKドイツ

3

分子量

140.54

Beilstein

2(4)493

Reaxy-Rn

1748679

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1748679&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 分類 Carboxylic acids and derivatives
      • Subclass Alpha-halocarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 分類: Carboxylic acids and derivatives
• Subclass: Alpha-halocarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Alpha-halocarboxylic acid derivatives
• Alternative Parents: Carboxylic acid esters Monocarboxylic acids and derivatives Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-halocarboxylic acid derivative - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organochloride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl fluoride - Alkyl chloride - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as alpha-halocarboxylic acid derivatives. These are carboxylic acid derivatives containing a halogen atom bonded to the alpha carbon atom.
• 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

• 感度: Air sensitive
• 屈折率: 1.396
• 引火点（°F）: 23°C
• 引火点（°C）: 23°C
• 沸点（°C）: 133 °C
• 分子量: 140.540 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 140.004 Da
• Monoisotopic Mass: 140.004 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 86.100
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• 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

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 401-56-9, the molecular formula is C4H6ClFO2, and the molecular weight is 140.54 g/mol. InChIKey WUHVJSONZHSDFC-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.