Ethyl 2-(2-chloroethoxy)acetate - ≥98% , CAS No.17229-14-0

CAS: 17229-14-0 Cat. No.: E305168 Fórmula: C₆H₁₁ClO₃ Peso molecular: 166.6 Número EC: 605-630-5

GRADE & PURITY ≥98%

Synonyms

1-Chloro-2-(ethoxycarbonylmethoxy)ethane | Ethyl (2-chloroethoxy)acetate | ethyl (2-chloroethoxy)-acetate | J-505566 | CVYKQPLWSDHSSV-UHFFFAOYSA-N | ETHYL 2-CHLOROETHOXYACETATE | Ethyl 2-(2-chloroethoxy)acetate | DS-18190 | A811397 | Ethyl 2-chloroethoxyl

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

1-Chloro-2-(ethoxycarbonylmethoxy)ethane | Ethyl (2-chloroethoxy)acetate | ethyl (2-chloroethoxy)-acetate | J-505566 | CVYKQPLWSDHSSV-UHFFFAOYSA-N | ETHYL 2-CHLOROETHOXYACETATE | Ethyl 2-(2-chloroethoxy)acetate | DS-18190 | A811397 | Ethyl 2-chloroethoxyl

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

488196996

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488196996

Sonrisas canónicas

CCOC(=O)COCCCl

IUPAC Name

ethyl 2-(2-chloroethoxy)acetate

InChIKey

CVYKQPLWSDHSSV-UHFFFAOYSA-N

INCHI

1S/C6H11ClO3/c1-2-10-6(8)5-9-4-3-7/h2-5H2,1H3

Isómeros SMILES

CCOC(=O)COCCCl

Peso molecular

166.6

Reaxy-Rn

1756703

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1756703&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Carboxylic acid esters
• Alternative Parents: Monocarboxylic acids and derivatives Dialkyl ethers Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carboxylic acid ester - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - 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 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

Propiedades químicas y físicas

• Peso molecular: 166.600 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 166.04 Da
• Monoisotopic Mass: 166.04 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 95.000
• 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