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Molecule
2,4-Dinitrophenylhydrazine
CAS: 119-26-6 · C6H6N4O4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 119-26-6
- Molecular Formula
- C6H6N4O4
- Molecular Mass
- 198.14 g/mol
Identifiers
CAS Registry Number
119-26-6
SMILES
NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChI Key
HORQAOAYAYGIBM-UHFFFAOYSA-N
InChI
InChI=1S/C6H6N4O4/c7-8-5-2-1-4(9(11)12)3-6(5)10(13)14/h1-3,8H,7H2
Names and Synonyms
- 2,4-Dinitrophenylhydrazine Systematic Name
- Hydrazine, (2,4-dinitrophenyl)- Synonym
- (2,4-Dinitrophenyl)hydrazine Synonym
- 1-Hydrazino-2,4-dinitrobenzene Synonym
- DNPH Synonym
- NSC 5709 Synonym
- 1-(2,4-Dinitrophenyl)hydrazine Synonym
- 2,4-Dinitrobenzenehydrazine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 198.14 g/mol | CAS Common Chemistry |
| 198.138 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/2,4-Dinitrophenylhydrazine | CAS Common Chemistry |
| Canonical SMILES | O=N(=O)C1=CC=C(NN)C(=C1)N(=O)=O | CAS Common Chemistry |
| InChI | InChI=1S/C6H6N4O4/c7-8-5-2-1-4(9(11)12)3-6(5)10(13)14/h1-3,8H,7H2 | CAS Common Chemistry |
| InChI Key | InChIKey=HORQAOAYAYGIBM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 194 °C | CAS Common Chemistry |
| Name | (2,4-Dinitrophenyl)hydrazine | CAS Common Chemistry |
| 2,4-Dinitrophenylhydrazine | CAS Common Chemistry | |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 124.33000000000001 Ų | RDKit |
| 124.33 Ų | RDKit | |
| 114.65 Ų | chempirical lib | |
| LogP | 0.7886000000000001 | RDKit |
| 0.7886 | RDKit | |
| Molar Refractivity | 47.5609 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 198.038904672 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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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MW = 198.14 g/mol. Edit any field — others recompute live.
