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Molecule
2-Nitrodiphenylamine
CAS: 119-75-5 · C12H10N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 119-75-5
- Molecular Formula
- C12H10N2O2
- Molecular Mass
- 214.22 g/mol
Identifiers
CAS Registry Number
119-75-5
SMILES
O=[N+]([O-])c1ccccc1Nc1ccccc1
InChI Key
RUKISNQKOIKZGT-UHFFFAOYSA-N
InChI
InChI=1S/C12H10N2O2/c15-14(16)12-9-5-4-8-11(12)13-10-6-2-1-3-7-10/h1-9,13H
Names and Synonyms
- 2-Nitrodiphenylamine Systematic Name
- Benzenamine, 2-nitro-N-phenyl- Synonym
- Diphenylamine, 2-nitro- Synonym
- 2-Nitro-N-phenylbenzenamine Synonym
- C.I. 10335 Synonym
- o-Nitrodiphenylamine Synonym
- 2-Nitrodiphenylamine Synonym
- Sudan Yellow 1339 Synonym
- o-Nitro-N-phenylaniline Synonym
- N-Phenyl-o-nitroaniline Synonym
- o-(Phenylamino)nitrobenzene Synonym
- NSC 105613 Synonym
- NSC 4754 Synonym
- NSC 629274 Synonym
- N-Phenyl-2-nitrobenzenamine Synonym
- 2-Nitro-N-phenylaniline Synonym
- N-Phenyl-2-nitroaniline Synonym
- N-(2-Nitrophenyl)aniline Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 214.22 g/mol | CAS Common Chemistry |
| 214.224 g/mol | RDKit | |
| Density | 1.37 g/cm³ | CAS Common Chemistry |
| 1.366 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/2-Nitrodiphenylamine | CAS Common Chemistry |
| Canonical SMILES | O=N(=O)C=1C=CC=CC1NC=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C12H10N2O2/c15-14(16)12-9-5-4-8-11(12)13-10-6-2-1-3-7-10/h1-9,13H | CAS Common Chemistry |
| InChI Key | InChIKey=RUKISNQKOIKZGT-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 75 °C | CAS Common Chemistry |
| Name | 2-Nitrodiphenylamine | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 55.17 Ų | RDKit |
| 50.33 Ų | chempirical lib | |
| LogP | 3.338400000000001 | RDKit |
| 3.3384 | RDKit | |
| Molar Refractivity | 62.82110000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 214.07422756 g/mol | RDKit |
| Boiling Point | 165-167 °C @ 1 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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 = 214.22 g/mol; density = 1.370 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C12H10N2O2.
