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2-Amino-4-Nitrophenol
CAS: 99-57-0 | C6H6N2O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
99-57-0
Molecular Formula:
C6H6N2O3
Molecular Mass:
154.13 g/mol
Names and Synonyms:
2-Amino-4-Nitrophenol
Phenol, 2-amino-4-nitro-
2-Amino-4-nitrophenol
C.I. 76530
p-Nitro-o-aminophenol
4-Nitro-2-aminophenol
2-Hydroxy-5-nitroaniline
4-Nitro-2-amino-1-hydroxybenzene
1-Amino-2-hydroxy-5-nitrobenzene
1-Hydroxy-2-amino-4-nitrobenzene
5-Nitro-2-hydroxyaniline
NSC 4664
Identifiers:
SMILES:
Nc1cc([N+](=O)[O-])ccc1O
InChI:
InChI=1S/C6H6N2O3/c7-5-3-4(8(10)11)1-2-6(5)9/h1-3,9H,7H2
Key Properties
Melting Point
145-147 °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 | 154.13 g/mol | CAS Common Chemistry |
| 154.125 g/mol | RDKit | |
| 154.037842052 g/mol | RDKit | |
| Canonical SMILES | O=N(=O)C1=CC=C(O)C(N)=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C6H6N2O3/c7-5-3-4(8(10)11)1-2-6(5)9/h1-3,9H,7H2 | CAS Common Chemistry |
| InChI Key | InChIKey=VLZVIIYRNMWPSN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 145-147 °C | CAS Common Chemistry |
| Name | 2-Amino-4-nitrophenol | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 89.39 Ų | RDKit |
| LogP | 0.8825999999999998 | RDKit |
| Molar Refractivity | 39.173600000000015 | RDKit |
