Ethyl diazoacetate - 15% in toluene , CAS No.623-73-4

CAS: 623-73-4 Cat. No.: E433136 Formula: C₄H₆N₂O₂ Molecular Weight: 114.10 Beilstein Registry Number: 107654 EC Number: 210-810-8

GRADE & PURITY 15% in toluene

Synonyms

Ethyl diazoacetate, purum | N84B835FMR | NSC79147 | NSC-79147 | (E)-2-diazonio-1-ethoxyethenolate | (E)-2-diazonio-1-ethoxy-ethenolate | A833745 | Diazoacetic acid ethyl ester | diazo-acetic acid ethyl ester | Ethyl 2-diazoacetate | Ethyl diazoacetate Con

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice,FedEx DG Service

Specifications

Synonyms

Ethyl diazoacetate, purum | N84B835FMR | NSC79147 | NSC-79147 | (E)-2-diazonio-1-ethoxyethenolate | (E)-2-diazonio-1-ethoxy-ethenolate | A833745 | Diazoacetic acid ethyl ester | diazo-acetic acid ethyl ester | Ethyl 2-diazoacetate | Ethyl diazoacetate Con

Specifications & Purity

15% in toluene

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice,FedEx DG Service

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

Canonical Smiles

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

IUPAC Name

ethyl 2-diazoacetate

InChIKey

YVPJCJLMRRTDMQ-UHFFFAOYSA-N

INCHI

1S/C4H6N2O2/c1-2-8-4(7)3-6-5/h3H,2H2,1H3

Isomeric SMILES

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

WGK Germany

3

UN Number

1993

Molecular Weight

114.10

Beilstein

107654

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organooxygen compounds
• Alternative Parents: Organopnictogen compounds Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organooxygen compound - Organonitrogen compound - Organic cation - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organooxygen compounds. These are organic compounds containing a bond between a carbon atom and an oxygen 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

Associated Targets(Human)

SNB-19 (46794 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: moisture and heat sensitive
• Refractive Index: 1.505
• Flash Point(°F): 46 °C
• Flash Point(°C): 46°C
• Boil Point(°C): 140-141°C
• Melt Point(°C): -22°C
• Molecular Weight: 114.100 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 114.043 Da
• Monoisotopic Mass: 114.043 Da
• Topological Polar Surface Area: 28.300 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 126.000
• 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

Frequently Asked Questions

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 623-73-4, the molecular formula is C4H6N2O2, and the molecular weight is 114.10 g/mol. InChIKey YVPJCJLMRRTDMQ-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.