Ethyl dichloroacetate - ≥98% , CAS No.535-15-9

CAS: 535-15-9 Cat. No.: E193802 分子式: C₄H₆Cl₂O₂ 分子量: 157.00 Beilstein Registry Number: 773995 EC番号: 208-611-6

GRADE & PURITY ≥98%

Synonyms

MFCD00018858 | EINECS 208-611-6 | NSC 27788 | [(5-Fluoro-1H-benzimidazol-2-yl)methoxy]aceticacid | dichloroacetic acid ethyl ester | dichloro-acetic acid ethyl ester | FT-0632332 | LS-12984 | AKOS015950637 | GZT46P7R49 | SCHEMBL288128 | Ethyl dichloroetha

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

概要

Ethyl dichloroacetate is an ester and its base catalyzed hydrolysis has been reported. 
Ethyl dichloroacetate may be used in the synthesis of α-halo-carboxylic acid ester.

Specifications

同義語

MFCD00018858 | EINECS 208-611-6 | NSC 27788 | [(5-Fluoro-1H-benzimidazol-2-yl)methoxy]aceticacid | dichloroacetic acid ethyl ester | dichloro-acetic acid ethyl ester | FT-0632332 | LS-12984 | AKOS015950637 | GZT46P7R49 | SCHEMBL288128 | Ethyl dichloroetha

仕様と純度

≥98%

保管条件

Room temperature,Argon charged

入荷

FedEx DG Service

純度

≥98%

名前と識別子

• パブケム・シド: 488181188
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/488181188
• カノニカル・スマイル: CCOC(=O)C(Cl)Cl
• IUPAC Name: ethyl 2,2-dichloroacetate
• InChIKey: IWYBVQLPTCMVFO-UHFFFAOYSA-N
• INCHI: 1S/C4H6Cl2O2/c1-2-8-4(7)3(5)6/h3H,2H2,1H3
• 異性体SMILES: CCOC(=O)C(Cl)Cl
• WGKドイツ: 3
• 分子量: 157.00
• Beilstein: 773995
• Reaxy-Rn: 773995
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=773995&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 Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds 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 - Organochloride - Organohalogen compound - Carbonyl group - Alkyl halide - 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: n20/D 1.438
• 引火点（°F）: 143.6 °F
• 引火点（°C）: 62 °C
• 沸点（°C）: 54-55 °C/11 mmHg (lit.)
• 分子量: 156.990 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 155.974 Da
• Monoisotopic Mass: 155.974 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?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product is classified as dangerous goods and ships via FedEx DG Service. Ground and other economy services are not available, and delivery to some destinations or address types may be restricted.

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

The CAS Number is 535-15-9, the molecular formula is C4H6Cl2O2, and the molecular weight is 157.00 g/mol. InChIKey IWYBVQLPTCMVFO-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.