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

CAS: 535-15-9 Cat. No.: E193802 Peso molecular: 157.00 Beilstein Registry Number: 773995 Número EC: 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

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Descripción general

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

Sinónimos

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

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature, Argon charged

Enviado en

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Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488181188
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181188
• Sonrisas canónicas: 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
• Isómeros SMILES: CCOC(=O)C(Cl)Cl
• WGK Alemania: 3
• Peso molecular: 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
    • Clase Carboxylic acids and derivatives
      • Subclass Alpha-halocarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Sensibilidad: Air sensitive
• Índice de refracción: n20/D 1.438
• Punto de inflamación (°F): 143.6 °F
• Punto de inflamación (°C): 62 °C
• Punto de ebullición (°C): 54-55 °C/11 mmHg (lit.)
• Peso molecular: 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