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| CAS No.: | 100-15-2 |
|---|---|
| Name: | N-Methyl-4-nitroaniline |
| Molecular Structure: | |
|
|
|
| Formula: | C7H8N2O2 |
| Molecular Weight: | 152.153 |
| Synonyms: | Aniline,N-methyl-p-nitro- (6CI,7CI,8CI);4-(Methylamino)nitrobenzene;4-Nitro-N-methylaniline;Methyl(4-nitrophenyl)amine;N-Methyl-4-nitrobenzenamine;N-Methyl-p-nitraniline;N-Methyl-p-nitroaniline;N-Monomethyl-p-nitroaniline;NSC 5390;p-(Methylamino)nitrobenzene;p-Nitro-N-methylaniline; |
| EINECS: | 202-823-2 |
| Density: | 1.26 g/cm3 |
| Melting Point: | 149-151 °C(lit.) |
| Boiling Point: | 290.6 °C at 760 mmHg |
| Flash Point: | 129.5 °C |
| Solubility: | <0.1 g/100 mL at 19 °C in water |
| Appearance: | Brownish-yellow crystalline powder |
| Hazard Symbols: |
 T, Xi
|
| Risk Codes: | 23/24/25-33-36/37/38 |
| Safety: | 28-36/37/39-45-26 |
| Transport Information: | 2811 |
| PSA: | 57.85000 |
| LogP: | 2.23270 |
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- 10252-27-4
p-Nitrophenyl-N-methyl-carbamidsaeure-methylester
- 100-15-2
N-methyl(p-nitroaniline)
| Conditions | Yield |
|---|---|
| With tert-butylamine In methanol for 14h; Heating; | 100% |
| With sodium hydroxide; cetyltrimethylammonim bromide In methanol; water at 68.5℃; Rate constant; |
| Conditions | Yield |
|---|---|
| With potassium hydroxide | 100% |
| at 130℃; for 11h; | 74% |
| Conditions | Yield |
|---|---|
| With copper In water at 100℃; for 12h; Ullmann reaction; | 96.4% |
| With copper(l) iodide; 6,7-dihydro-5H-quinolin-8-one oxime; potassium hydroxide In water at 25℃; for 24h; Inert atmosphere; | 85% |
| Conditions | Yield |
|---|---|
| With C24H52B20Cl2Rh2Se2 In toluene at 20℃; for 2h; | 95% |
| In methanol for 10h; Heating; | 41.1% |
| With methanol at 95℃; |
- 124251-71-4
(Z)-N-methyl-N-(4-nitrophenyl)-N'-<1-(phenylthio)-3,3-dimethylbut-1-en-2-yl>acetamidine
A
- 37471-41-3
3,3-dimethyl-1-(phenylthio)butan-2-one
B
- 100-15-2
N-methyl(p-nitroaniline)
| Conditions | Yield |
|---|---|
| With hydrogenchloride In 1,4-dioxane for 6h; Heating; | A 95% B n/a |
- 474020-88-7
tert-butyl N-methyl-N-(4-nitrophenyl)carbamate
- 100-15-2
N-methyl(p-nitroaniline)
| Conditions | Yield |
|---|---|
| With trifluoroacetic acid In dichloromethane at 25℃; | 95% |
| With tert-butylamine In methanol for 24h; Heating; | 7% |
| Conditions | Yield |
|---|---|
| With copper In water at 100℃; for 12h; Ullmann reaction; | 93.4% |
| at 20℃; for 16h; Heating; Sealed tube; | 4.5 g |
| In water at 90℃; for 16h; Sealed tube; | 2.4 g |
| Conditions | Yield |
|---|---|
| In water for 16h; Pressure bomb; | 93% |
| With copper In water at 100℃; for 24h; Ullmann reaction; | 91.5% |
| With 1:1 complex of Cl- with methylamine In ethanol at 150℃; sealed tube; | 84% |
| In ethanol at 130℃; for 6h; | 79% |
| With ethanol at 160℃; |
| Conditions | Yield |
|---|---|
| With potassium carbonate In dimethyl sulfoxide at 70℃; Inert atmosphere; | 93% |
| Conditions | Yield |
|---|---|
| With potassium carbonate In dimethyl sulfoxide at 70℃; Inert atmosphere; | 93% |
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Specification
The N-Methyl-4-nitroaniline with CAS registry number of 100-15-2 is also known as p-(Methylamino)nitrobenzene. The IUPAC name and product name are the same. It belongs to product categories of Anilines, Aromatic Amines and Nitro Compounds; C7Photonic and Optical Materials; Amines; Nitrogen Compounds; NLO Chromophores and Intermediates; Non-Linear Optical (NLO) Materials. Its EINECS registry number is 202-823-2. In addition, the formula is C7H8N2O2 and the molecular weight is 152.15. This chemical is a brownish-yellow crystalline powder which is soluble in acetone, benzene, slightly soluble in ethanol and insoluble in water. Besides, it is used in organic synthesis and also used as dye intermediates.
Physical properties about N-Methyl-4-nitroaniline are: (1)ACD/LogP: 2.04; (2)ACD/LogD (pH 5.5): 2.04; (3)ACD/LogD (pH 7.4): 2.04; (4)ACD/BCF (pH 5.5): 20.91; (5)ACD/BCF (pH 7.4): 20.91; (6)ACD/KOC (pH 5.5): 306.73; (7)ACD/KOC (pH 7.4): 306.73; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.619; (12)Molar Refractivity: 42.4 cm3; (13)Molar Volume: 120.7 cm3; (14)Surface Tension: 50.3 dyne/cm; (15)Density: 1.26 g/cm3; (16)Flash Point: 129.5 °C; (17)Enthalpy of Vaporization: 53 kJ/mol; (18)Boiling Point: 290.6 °C at 760 mmHg; (19)Vapour Pressure: 0.00205 mmHg at 25 °C.
Preparation of N-Methyl-4-nitroaniline: it is prepared by reaction of acetanilide of nitrate, iodomethane and ethanol. Firstly, acetone, nitro acetanilide and potassium hydroxide are mixed and refluxed. Meanwhile, dropping methyl iodide acetone solution and refluxing for another 4 hours. After reactant is placed overnight, crystal precipitated is washed with ethanol to get N-methyl-nitro acetanilide. Secondly, the reactant is mixed with ethanol, hydrochloric acid, and refluxed for 8 hours. Crude product is generated by washed and drying. At last, product is obtained by dissolution, filtration and precipitation of crystals.
Uses of N-Methyl-4-nitroaniline: it is used to produce N-methyl-4-nitro-N-nitroso-aniline. The reaction occurs with reagents NO, O2 and solvent 1,2-dichloro-ethane with ambient temperature for 24 hours. The yield is about 90%.
When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. It is also toxic by inhalation, in contact with skin and if swallowed. What's more, it has danger of cumulative effects. During using it, wear suitable protective clothing, gloves and eye/face protection. After contact with skin, wash immediately. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell seek medical advice immediately.
You can still convert the following datas into molecular structure:
1. Canonical SMILES: CNC1=CC=C(C=C1)[N+](=O)[O-]
2. InChI: InChI=1S/C7H8N2O2/c1-8-6-2-4-7(5-3-6)9(10)11/h2-5,8H,1H3
3. InChIKey: XIFJZJPMHNUGRA-UHFFFAOYSA-N