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2-Amino-5-Nitrotoluene
CAS: 99-52-5 | C7H8N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
99-52-5
Molecular Formula:
C7H8N2O2
Molecular Weight:
152.153 g/mol
Names and Synonyms:
2-Amino-5-Nitrotoluene
Fast Red Salt RL
Red Base Ciba X
Naphtoelan Red RL Base
Mitsui Red RL Base
Meisei Fast Red RL Base
Kayaku Red RL Base
Kako Red RL Base
Hiltosal Fast Red RL Salt
Hiltonil Fast Red RL Base
Fast Red 5NT Salt
Fast Red RL Base
Fast Red Base RL
Fast Red 5NT
Diabase Red RL
Devol Red Salt E
Devol Red RL
Daito Red Base RL
Azogene Fast Red RL
Azogene Fast Red NRL Salt
Azoene Fast Red GL Base
Ansibases Red RL
2-Methyl-4-nitrobenzenamine
o-Toluidine, 4-nitro-
Red base RL
NSC 5508
NSC 2075
4-Nitro-2-toluidine
3-Methyl-4-aminonitrobenzene
4-Nitro-2-methylaniline
2-Methyl-p-nitroaniline
MNA (optical crystal)
MNA
2-Amino-1-methyl-5-nitrobenzene
2-Methyl-4-nitrophenylamine
1-Amino-2-methyl-4-nitrobenzene
5-Nitro-2-aminotoluene
4-Nitro-o-toluidine
2-Amino-5-nitrotoluene
4-Nitro-6-methylaniline
Yamada Fast Red RL Base
Tulabase Fast Red RL
Symulon Red RL Base
Spectrolene Red RL
Sanyo Fast Red Salt RL
Sanyo Fast Red RL Base
Red RL Base
Red Base NRL
Red Base Irga X
Benzenamine, 2-methyl-4-nitro-
Identifiers:
SMILES:
Cc1cc([N+](=O)[O-])ccc1N
InChI:
InChI=1S/C7H8N2O2/c1-5-4-6(9(10)11)2-3-7(5)8/h2-4H,8H2,1H3
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 152.15 g/mol | Legacy Database |
| cas-canonical-smile | O=N(=O)C1=CC=C(N)C(=C1)C None | Legacy Database |
| cas-inchi | InChI=1S/C7H8N2O2/c1-5-4-6(9(10)11)2-3-7(5)8/h2-4H,8H2,1H3 None | Legacy Database |
| cas-inchi-key | InChIKey=XTTIQGSLJBWVIV-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 133.5 °C None | Legacy Database |
| cas-name | 2-Amino-5-nitrotoluene None | Legacy Database |
| LogP | 1.4854199999999997 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 152.153 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 152.058577496 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 11 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 69.16 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 42.24580000000002 | RDKit |
