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4-Amino-2-Nitrophenol
CAS: 119-34-6 | C6H6N2O3
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
119-34-6
Molecular Formula:
C6H6N2O3
Molecular Mass:
154.13 g/mol
Names and Synonyms:
4-Amino-2-Nitrophenol
Phenol, 4-amino-2-nitro-
4-Amino-2-nitrophenol
C.I. 76555
C.I. Oxidation Base 25
Fourrine 57
Fourrine Brown PR
o-Nitro-p-aminophenol
2-Nitro-4-aminophenol
4-Hydroxy-3-nitroaniline
p-Amino-o-nitrophenol
3-Nitro-4-hydroxyaniline
1-Amino-3-nitro-4-hydroxybenzene
2-Hydroxy-5-aminonitrobenzene
NSC 56809
Identifiers:
SMILES:
Nc1ccc(O)c([N+](=O)[O-])c1
InChI:
InChI=1S/C6H6N2O3/c7-4-1-2-6(9)5(3-4)8(10)11/h1-3,9H,7H2
Key Properties
Melting Point
131 °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(N)=CC=C1O | CAS Common Chemistry |
| InChI | InChI=1S/C6H6N2O3/c7-4-1-2-6(9)5(3-4)8(10)11/h1-3,9H,7H2 | CAS Common Chemistry |
| InChI Key | InChIKey=WHODQVWERNSQEO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 131 °C | CAS Common Chemistry |
| Name | 4-Amino-2-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 | 39.17360000000001 | RDKit |
