Ethyl diazoacetoacetate - ≥98% , CAS No.2009-97-4

CAS: 2009-97-4 Cat. No.: E340414 Formule: C₆H₈N₂O₃ Poids moléculaire: 156.14 Numéro CE: 626-053-5

GRADE & PURITY ≥98%

Synonyms

MFCD09039264 | AKOS015894398 | AS-75565 | EN300-56469 | Butanoic acid, 2-diazo-3-oxo-, ethyl ester | ethyl 2-diazo-3-oxobutanoate | E82520 | Acetoacetic acid, 2-diazo-, ethyl ester | J-013009 | Ethyl 2-diazoacetoacetate | SY067070 | 2-diazo-3-oxo-butyric

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

MFCD09039264 | AKOS015894398 | AS-75565 | EN300-56469 | Butanoic acid, 2-diazo-3-oxo-, ethyl ester | ethyl 2-diazo-3-oxobutanoate | E82520 | Acetoacetic acid, 2-diazo-, ethyl ester | J-013009 | Ethyl 2-diazoacetoacetate | SY067070 | 2-diazo-3-oxo-butyric

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

Pubchem Sid

488190186

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488190186

Sourires canoniques

CCOC(=O)C(=[N+]=[N-])C(=O)C

IUPAC Name

ethyl 2-diazo-3-oxobutanoate

InChIKey

JWTPSIXYXYNAOU-UHFFFAOYSA-N

INCHI

1S/C6H8N2O3/c1-3-11-6(10)5(8-7)4(2)9/h3H2,1-2H3

Isomères SMILES

CCOC(=O)C(=[N+]=[N-])C(=O)C

WGK Allemagne

3

Poids moléculaire

156.14

Reaxy-Rn

1773088

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1773088&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Alpha,beta-unsaturated carbonyl compounds
          • Level6 Alpha,beta-unsaturated ketones
            • Level7 Alpha-branched alpha,beta-unsaturated ketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Alpha,beta-unsaturated carbonyl compounds - Alpha,beta-unsaturated ketones
• Direct Parent: Alpha-branched alpha,beta-unsaturated ketones
• Alternative Parents: Vinylogous esters Vinylogous acids Enones Acryloyl compounds Ketones Organonitrogen compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-branched alpha,beta-unsaturated-ketone - Vinylogous ester - Vinylogous acid - Enone - Acryloyl-group - Ketone - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organic zwitterion - Organonitrogen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha-branched alpha,beta-unsaturated ketones. These are alpha,beta-unsaturated ketones that carry a branch on the alpha carbon. They have the generic structure RC(=O)C(R')=C, R = organyl group and R'= any heteroatom.
• 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

Propriétés chimiques et physiques

• Point d'éclair (°F): 185 °F
• Point d'éclair (°C): 85 °C
• Poids moléculaire: 156.140 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 156.053 Da
• Monoisotopic Mass: 156.053 Da
• Topological Polar Surface Area: 45.400 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 228.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 1
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

Foire aux questions

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.

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 2009-97-4, the molecular formula is C6H8N2O3, and the molecular weight is 156.14 g/mol. InChIKey JWTPSIXYXYNAOU-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.