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Molecule
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 Mass
- 152.15 g/mol
Identifiers
CAS Registry Number
99-55-8
SMILES
Cc1ccc([N+](=O)[O-])cc1N
InChI Key
DSBIJCMXAIKKKI-UHFFFAOYSA-N
InChI
InChI=1S/C7H8N2O2/c1-5-2-3-6(9(10)11)4-7(5)8/h2-4H,8H2,1H3
Names and Synonyms
- 2-Methyl-5-Nitroaniline Systematic Name
- Benzenamine, 2-methyl-5-nitro- Synonym
- o-Toluidine, 5-nitro- Synonym
- Fast Scarlet G Base Synonym
- 2-Methyl-5-nitrobenzenamine Synonym
- C.I. 37105 Synonym
- Amarthol Fast Scarlet G Base Synonym
- Amarthol Fast Scarlet G Salt Synonym
- Azoene Fast Scarlet GC Base Synonym
- Azoene Fast Scarlet GC Salt Synonym
- Azofix Scarlet G Salt Synonym
- Azogene Fast Scarlet G Synonym
- C.I. Azoic Diazo Component 12 Synonym
- Dainichi Fast Scarlet G Base Synonym
- Daito Scarlet Base G Synonym
- Devol Scarlet B Synonym
- Devol Scarlet G Salt Synonym
- Diabase Scarlet G Synonym
- Diazo Fast Scarlet G Synonym
- Fast Red SG Base Synonym
- Fast Scarlet G Synonym
- Fast Scarlet Base J Synonym
- Fast Scarlet M 4NT Base Synonym
- Fast Scarlet T Base Synonym
- Fast Scarlet GC Base Synonym
- Fast Scarlet G Salt Synonym
- Fast Scarlet J Salt Synonym
- Hiltonil Fast Scarlet G Base Synonym
- Hiltonil Fast Scarlet GC Base Synonym
- Hiltonil Fast Scarlet G Salt Synonym
- Kayaku Scarlet G Base Synonym
- Lake Scarlet G Base Synonym
- Lithosol Orange R Base Synonym
- Mitsui Scarlet G Base Synonym
- 6-Methyl-3-nitroaniline Synonym
- Naphthanil Scarlet G Base Synonym
- Naphtoelan Fast Scarlet G Base Synonym
- Naphtoelan Fast Scarlet G Salt Synonym
- PNOT Synonym
- Scarlet G Base Synonym
- Scarlet Base Ciba II Synonym
- Scarlet Base Irga II Synonym
- Scarlet Base NSP Synonym
- Sugai Fast Scarlet G Base Synonym
- Symulon Scarlet G Base Synonym
- 4-Nitro-2-aminotoluene Synonym
- 3-Nitro-6-methylaniline Synonym
- 1-Methyl-2-amino-4-nitrobenzene Synonym
- 2-Methyl-5-nitroaniline Synonym
- 5-Nitro-o-toluidine Synonym
- 2-Amino-4-nitrotoluene Synonym
- 5-Nitro-2-toluidine Synonym
- 5-Nitro-2-methylaniline Synonym
- 1-Amino-2-methyl-5-nitrobenzene Synonym
- NSC 8947 Synonym
- (2-Methyl-5-nitrophenyl)amine Synonym
- Scarlet G Synonym
- Dycosbase Scarlet G Base Synonym
- Icho Salt Scarlet G Synonym
- Conazoic Diazo AB Synonym
- Azoene Fast Scarlet G Salt Synonym
- Scarlet Base G Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 152.15 g/mol | CAS Common Chemistry |
| 152.153 g/mol | RDKit | |
| Canonical SMILES | O=N(=O)C1=CC=C(C(N)=C1)C | CAS Common Chemistry |
| InChI | InChI=1S/C7H8N2O2/c1-5-2-3-6(9(10)11)4-7(5)8/h2-4H,8H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=DSBIJCMXAIKKKI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 107-108 °C | CAS Common Chemistry |
| Name | 2-Methyl-5-nitroaniline | 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 |
| 64.32 Ų | chempirical lib | |
| LogP | 1.4854199999999997 | RDKit |
| 1.4854 | RDKit | |
| Molar Refractivity | 42.24580000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1429 | RDKit |
| 0.14 | chempirical lib | |
| Exact Mass | 152.058577496 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 152.15 g/mol. Edit any field — others recompute live.
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