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Ethyl Diazoacetate
CAS: 623-73-4 | C4H6N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
623-73-4
Molecular Formula:
C4H6N2O2
Molecular Mass:
114.10 g/mol
Names and Synonyms:
Ethyl Diazoacetate
Acetic acid, 2-diazo-, ethyl ester
Acetic acid, diazo-, ethyl ester
Diazoacetic acid ethyl ester
Ethyl diazoacetate
Ethoxycarbonyldiazomethane
Ethyl 2-diazoacetate
Diazoacetic ester
DAAE
Ethyl 2-diazoethanoate
NSC 79147
2-Diazo-1-ethoxyethanone
Ethyl α-diazoacetate
Ethanediazonium, 2-ethoxy-2-oxo-, inner salt
Identifiers:
SMILES:
CCOC(=O)C=[N+]=[N-]
InChI:
InChI=1S/C4H6N2O2/c1-2-8-4(7)3-6-5/h3H,2H2,1H3
Key Properties
Boiling Point
145 °C
CAS Common Chemistry
Melting Point
-22 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 114.10 g/mol | CAS Common Chemistry |
| 114.104 g/mol | RDKit | |
| 114.042927432 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Ethyl_diazoacetate | CAS Common Chemistry |
| Boiling Point | 145 °C | CAS Common Chemistry |
| Canonical SMILES | [N-]=[N+]=CC(=O)OCC | CAS Common Chemistry |
| InChI | InChI=1S/C4H6N2O2/c1-2-8-4(7)3-6-5/h3H,2H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=YVPJCJLMRRTDMQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -22 °C | CAS Common Chemistry |
| Name | Ethyl diazoacetate | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 62.7 Ų | RDKit |
| LogP | -0.14990000000000014 | RDKit |
| Molar Refractivity | 26.316399999999987 | RDKit |
