Ethyl 2-(4-chlorophenyl)-2-oxoacetate - ≥97% , CAS No.34966-48-8

CAS: 34966-48-8 Cat. No.: E192909 Fórmula: C₁₀H₉ClO₃ Peso molecular: 212.63 Número EC: 675-587-5

GRADE & PURITY ≥97%

Synonyms

ETHYL 4-CHLOROPHENYLGLYOXYLATE | STL557383 | F2167-7139 | MFCD01319615 | EN300-65590 | SCHEMBL1525403 | (4-chlorophenyl)glyoxylic acid ethyl ester | ethyl (4-chlorophenyl)(oxo)acetate | BBL103573 | A24544 | AM20040251 | Ethyl 4-chlorobenzoylformate | AC-5

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

ETHYL 4-CHLOROPHENYLGLYOXYLATE | STL557383 | F2167-7139 | MFCD01319615 | EN300-65590 | SCHEMBL1525403 | (4-chlorophenyl)glyoxylic acid ethyl ester | ethyl (4-chlorophenyl)(oxo)acetate | BBL103573 | A24544 | AM20040251 | Ethyl 4-chlorobenzoylformate | AC-5

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488193107
• Sonrisas canónicas: CCOC(=O)C(=O)C1=CC=C(C=C1)Cl
• IUPAC Name: ethyl 2-(4-chlorophenyl)-2-oxoacetate
• InChIKey: BIELZWDKOJZMOG-UHFFFAOYSA-N
• INCHI: 1S/C10H9ClO3/c1-2-14-10(13)9(12)7-3-5-8(11)6-4-7/h3-6H,2H2,1H3
• Isómeros SMILES: CCOC(=O)C(=O)C1=CC=C(C=C1)Cl
• Peso molecular: 212.63
• Reaxy-Rn: 2210014
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2210014&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzoyl derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzoyl derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoyl derivatives
• Alternative Parents: Aryl ketones Chlorobenzenes Aryl chlorides Alpha-keto acids and derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aryl ketone - Benzoyl - Halobenzene - Chlorobenzene - Alpha-keto acid - Aryl chloride - Aryl halide - Keto acid - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxygen compound - Organohalogen compound - Organochloride - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-).
• 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: 212.630 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 212.024 Da
• Monoisotopic Mass: 212.024 Da
• Topological Polar Surface Area: 43.400 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 219.000
• 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

Preguntas frecuentes

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 room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 34966-48-8, the molecular formula is C10H9ClO3, and the molecular weight is 212.63 g/mol. InChIKey BIELZWDKOJZMOG-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.