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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 Mass:
152.15 g/mol
Names and Synonyms:
2-Amino-5-Nitrotoluene
Benzenamine, 2-methyl-4-nitro-
Red Base Irga X
Red Base NRL
Red RL Base
Sanyo Fast Red RL Base
Sanyo Fast Red Salt RL
Spectrolene Red RL
Symulon Red RL Base
Tulabase Fast Red RL
Yamada Fast Red RL Base
4-Nitro-6-methylaniline
2-Amino-5-nitrotoluene
4-Nitro-o-toluidine
5-Nitro-2-aminotoluene
1-Amino-2-methyl-4-nitrobenzene
2-Methyl-4-nitrophenylamine
2-Amino-1-methyl-5-nitrobenzene
MNA
MNA (optical crystal)
2-Methyl-p-nitroaniline
4-Nitro-2-methylaniline
3-Methyl-4-aminonitrobenzene
4-Nitro-2-toluidine
NSC 2075
NSC 5508
Red base RL
o-Toluidine, 4-nitro-
2-Methyl-4-nitrobenzenamine
Ansibases Red RL
Azoene Fast Red GL Base
Azogene Fast Red NRL Salt
Azogene Fast Red RL
Daito Red Base RL
Devol Red RL
Devol Red Salt E
Diabase Red RL
Fast Red 5NT
Fast Red Base RL
Fast Red RL Base
Fast Red 5NT Salt
Fast Red Salt RL
Hiltonil Fast Red RL Base
Hiltosal Fast Red RL Salt
Kako Red RL Base
Kayaku Red RL Base
Meisei Fast Red RL Base
Mitsui Red RL Base
Naphtoelan Red RL Base
Red Base Ciba X
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
Key Properties
Melting Point
133.5 °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 | 152.15 g/mol | CAS Common Chemistry |
| 152.153 g/mol | RDKit | |
| 152.058577496 g/mol | RDKit | |
| Canonical SMILES | O=N(=O)C1=CC=C(N)C(=C1)C | CAS Common Chemistry |
| InChI | InChI=1S/C7H8N2O2/c1-5-4-6(9(10)11)2-3-7(5)8/h2-4H,8H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=XTTIQGSLJBWVIV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 133.5 °C | CAS Common Chemistry |
| Name | 2-Amino-5-nitrotoluene | CAS Common Chemistry |
| Heavy Atom Count | 11 | 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 | 1.4854199999999997 | RDKit |
| Molar Refractivity | 42.24580000000002 | RDKit |
