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2-Nitroaniline
CAS: 88-74-4 | C6H6N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
88-74-4
Molecular Formula:
C6H6N2O2
Molecular Mass:
138.13 g/mol
Names and Synonyms:
2-Nitroaniline
Benzenamine, 2-nitro-
Aniline, o-nitro-
2-Nitrobenzenamine
Azoene Fast Orange GR Base
Azoene Fast Orange GR Salt
Azofix Orange GR Salt
Azogene Fast Orange GR
Brentamine Fast Orange GR Base
Brentamine Fast Orange GR Salt
Devol Orange B
Devol Orange Salt B
Fast Orange O Base
Fast Orange Base JR
Fast Orange GR Base
Fast Orange O Salt
Fast Orange Salt JR
Hiltonil Fast Orange GR Base
Hiltosal Fast Orange GR Salt
Hindasol Orange GR Salt
Natasol Fast Orange GR Salt
o-Nitroaniline
ONA
Orange Base Ciba II
Orange Base Irga II
Orange GRS Salt
Orange Salt Ciba II
Orange Salt Irga II
2-Nitroaniline
1-Amino-2-nitrobenzene
o-Nitrophenylamine
2-Nitrophenylamine
2-Aminonitrobenzene
o-Aminonitrobenzene
1-Nitro-2-aminobenzene
o-Nitrobenzenamine
NSC 9796
Identifiers:
SMILES:
Nc1ccccc1[N+](=O)[O-]
InChI:
InChI=1S/C6H6N2O2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H,7H2
Key Properties
Boiling Point
284 °C
CAS Common Chemistry
Melting Point
69-71 °C
CAS Common Chemistry
Density
0.90 g/cm³
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 | 138.13 g/mol | CAS Common Chemistry |
| 138.126 g/mol | RDKit | |
| 138.042927432 g/mol | RDKit | |
| Density | 0.90 g/cm³ | CAS Common Chemistry |
| 0.9015 g/cm3 @ Temp: 25 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/2-Nitroaniline | CAS Common Chemistry |
| Boiling Point | 284 °C | CAS Common Chemistry |
| Canonical SMILES | O=N(=O)C=1C=CC=CC1N | CAS Common Chemistry |
| InChI | InChI=1S/C6H6N2O2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H,7H2 | CAS Common Chemistry |
| InChI Key | InChIKey=DPJCXCZTLWNFOH-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 69-71 °C | CAS Common Chemistry |
| Name | 2-Nitroaniline | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 69.16 Ų | RDKit |
| LogP | 1.177 | RDKit |
| Molar Refractivity | 37.50880000000001 | RDKit |
