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2-Methyl-5-Nitroaniline
CAS: 99-55-8 | C7H8N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
99-55-8
Molecular Formula:
C7H8N2O2
Molecular Weight:
152.153 g/mol
Names and Synonyms:
2-Methyl-5-Nitroaniline
Common Name
2-Methyl-5-nitroaniline
Synonym
1-Methyl-2-amino-4-nitrobenzene
Synonym
3-Nitro-6-methylaniline
Synonym
4-Nitro-2-aminotoluene
Synonym
Symulon Scarlet G Base
Synonym
Sugai Fast Scarlet G Base
Synonym
Scarlet Base NSP
Synonym
Scarlet Base Irga II
Synonym
Scarlet Base Ciba II
Synonym
Scarlet G Base
Synonym
PNOT
Synonym
Naphtoelan Fast Scarlet G Salt
Synonym
Naphtoelan Fast Scarlet G Base
Synonym
Naphthanil Scarlet G Base
Synonym
6-Methyl-3-nitroaniline
Synonym
Mitsui Scarlet G Base
Synonym
Lithosol Orange R Base
Synonym
Lake Scarlet G Base
Synonym
Kayaku Scarlet G Base
Synonym
Hiltonil Fast Scarlet G Salt
Synonym
Hiltonil Fast Scarlet GC Base
Synonym
Hiltonil Fast Scarlet G Base
Synonym
Fast Scarlet J Salt
Synonym
Fast Scarlet G Salt
Synonym
Fast Scarlet GC Base
Synonym
Fast Scarlet T Base
Synonym
Fast Scarlet M 4NT Base
Synonym
Fast Scarlet Base J
Synonym
Fast Scarlet G
Synonym
Fast Red SG Base
Synonym
Diazo Fast Scarlet G
Synonym
Diabase Scarlet G
Synonym
Devol Scarlet G Salt
Synonym
Devol Scarlet B
Synonym
Daito Scarlet Base G
Synonym
Dainichi Fast Scarlet G Base
Synonym
C.I. Azoic Diazo Component 12
Synonym
Azogene Fast Scarlet G
Synonym
Azofix Scarlet G Salt
Synonym
Azoene Fast Scarlet GC Salt
Synonym
Azoene Fast Scarlet GC Base
Synonym
Amarthol Fast Scarlet G Salt
Synonym
Amarthol Fast Scarlet G Base
Synonym
C.I. 37105
Synonym
2-Methyl-5-nitrobenzenamine
Synonym
Fast Scarlet G Base
Synonym
o-Toluidine, 5-nitro-
Synonym
Benzenamine, 2-methyl-5-nitro-
Synonym
Scarlet Base G
Synonym
Azoene Fast Scarlet G Salt
Synonym
Conazoic Diazo AB
Synonym
Icho Salt Scarlet G
Synonym
Dycosbase Scarlet G Base
Synonym
Scarlet G
Synonym
(2-Methyl-5-nitrophenyl)amine
Synonym
NSC 8947
Synonym
1-Amino-2-methyl-5-nitrobenzene
Synonym
5-Nitro-2-methylaniline
Synonym
5-Nitro-2-toluidine
Synonym
2-Amino-4-nitrotoluene
Synonym
5-Nitro-o-toluidine
Synonym
Identifiers:
SMILES:
Cc1ccc([N+](=O)[O-])cc1N
InChI:
InChI=1S/C7H8N2O2/c1-5-2-3-6(9(10)11)4-7(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(C(N)=C1)C None | Legacy Database |
| cas-inchi | InChI=1S/C7H8N2O2/c1-5-2-3-6(9(10)11)4-7(5)8/h2-4H,8H2,1H3 None | Legacy Database |
| cas-inchi-key | InChIKey=DSBIJCMXAIKKKI-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 107-108 °C None | Legacy Database |
| cas-name | 2-Methyl-5-nitroaniline 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 |