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Molecule
Diazomethane
CAS: 334-88-3 · CH2N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 334-88-3
- Molecular Formula
- CH2N2
- Molecular Mass
- 42.04 g/mol
Identifiers
CAS Registry Number
334-88-3
SMILES
C=[N+]=[N-]
InChI Key
YXHKONLOYHBTNS-UHFFFAOYSA-N
InChI
InChI=1S/CH2N2/c1-3-2/h1H2
Names and Synonyms
- Diazomethane Common Name
- Methane, diazo- Synonym
- Azimethylene Synonym
- Diazomethane Synonym
- Diazirine Synonym
- Diazonium methylide Synonym
- Diazyne, methylene- Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 42.04 g/mol | CAS Common Chemistry |
| 42.041 g/mol | RDKit | |
| Density | 1.45 g/cm³ | CAS Common Chemistry |
| 1.45 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Diazomethane | CAS Common Chemistry |
| Boiling Point | -23 °C | CAS Common Chemistry |
| Canonical SMILES | [N-]=[N+]=C | CAS Common Chemistry |
| InChI | InChI=1S/CH2N2/c1-3-2/h1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=YXHKONLOYHBTNS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -145 °C | CAS Common Chemistry |
| Name | Diazomethane | CAS Common Chemistry |
| Heavy Atom Count | 3 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 36.400000000000006 Ų | RDKit |
| 36.4 Ų | RDKit | |
| 36.15 Ų | chempirical lib | |
| LogP | -0.0832 | RDKit |
| Molar Refractivity | 10.740400000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 42.021798064 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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.
External Resources
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Quick conversion
MW = 42.04 g/mol; density = 1.450 g/mL. Edit any field — others recompute live.
