Ethyl 2-chloro-3-oxopropanoate - ≥97% , CAS No.33142-21-1

CAS: 33142-21-1 Cat. No.: E183753 Formula: C₅H₇ClO₃ Peso molecolare: 150.6 Numero EC: 251-390-6

GRADE & PURITY ≥97%

Synonyms

ethyl 2-chloro-3-oxo-propionate | ethyl 2-formyl-2-chloro-acetate | BB 0296191 | ethyl 2-chloro-3-oxopropanoate | ethyl formylchloroacetate | SR-01000003056 | A904715 | ethyl chloro-alpha-formylacetate | Ethyl2-Chloro-3-oxopropanoate | ETHYL 2-CHLORO-2-FO

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinonimi

ethyl 2-chloro-3-oxo-propionate | ethyl 2-formyl-2-chloro-acetate | BB 0296191 | ethyl 2-chloro-3-oxopropanoate | ethyl formylchloroacetate | SR-01000003056 | A904715 | ethyl chloro-alpha-formylacetate | Ethyl2-Chloro-3-oxopropanoate | ETHYL 2-CHLORO-2-FO

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Argon charged

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥97%

Nomi e identificatori

Pubchem Sid

504756776

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504756776

Sorrisi canonici

CCOC(=O)C(C=O)Cl

IUPAC Name

ethyl 2-chloro-3-oxopropanoate

InChIKey

DWXKSCKBUSAOKS-UHFFFAOYSA-N

INCHI

1S/C5H7ClO3/c1-2-9-5(8)4(6)3-7/h3-4H,2H2,1H3

Isomeri SMILES

CCOC(=O)C(C=O)Cl

Peso molecolare

150.6

Reaxy-Rn

507458

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=507458&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbonyl compounds

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,3-dicarbonyl compounds
• Alternative Parents: Alpha-halocarboxylic acid derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides Aldehydes
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: 1,3-dicarbonyl compound - Alpha-halocarboxylic acid or derivatives - Alpha-halocarboxylic acid derivative - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxide - Hydrocarbon derivative - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aldehyde - Aliphatic acyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as 1,3-dicarbonyl compounds. These are carbonyl compounds with the generic formula O=C(R)C(H)C(R')=O, where R and R' can be any 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

Proprietà chimiche e fisiche

• Sensibilità: Hygroscopic
• Peso molecolare: 150.560 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 150.008 Da
• Monoisotopic Mass: 150.008 Da
• Topological Polar Surface Area: 43.400 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 113.000
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). 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.

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 are the CAS number, molecular formula and molecular weight?

The CAS Number is 33142-21-1, the molecular formula is C5H7ClO3, and the molecular weight is 150.6 g/mol. InChIKey DWXKSCKBUSAOKS-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.