Ethyl diazoacetate - ≥91%, 10% dichloromethane , CAS No.623-73-4

CAS: 623-73-4 Cat. No.: E100922 Molecular Weight: 114.10 Beilstein Registry Number: 107654 EC Number: 210-810-8

GRADE & PURITY ≥91%, 10% dichloromethane

Synonyms

DAAE | Ethyl 2-diazoacetate | Diazoacetic ester | Ethyldiazoacetate

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads,FedEx DG Service

Specifications

Synonyms

DAAE | Ethyl 2-diazoacetate | Diazoacetic ester | Ethyldiazoacetate

Specifications & Purity

≥91%, 10% dichloromethane

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads, FedEx DG Service

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

Purity

≥91%

Names and Identifiers

• Pubchem Sid: 504752278
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752278
• 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

• 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

References

1. Yu Xie, Guoming Huang, Weiguo Hu, Yujun Wang.  (2021)  Effects of piperacillin synthesis on the interfacial tensions and droplet sizes.  CHINESE JOURNAL OF CHEMICAL ENGINEERING,      [PMID:] [10.1016/j.cjche.2021.05.025]

2. Dawei Xin, Yangcheng Lu.  (2018)  Thermal Decomposition of Ethyl Diazoacetate in Microtube Reactor: A Kinetics Study.  ACS Omega,      [PMID:31459178] [10.1021/acsomega.8b01521]