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| CAS No.: | 616-86-4 |
|---|---|
| Name: | 4-ETHOXY-2-NITROANILINE |
| Article Data: | 30 |
| Molecular Structure: | |
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|
|
| Formula: | C8H10N2O3 |
| Molecular Weight: | 182.179 |
| Synonyms: | p-Phenetidine,2-nitro- (7CI,8CI);(4-Ethoxy-2-nitrophenyl)amine;2-Nitro-p-phenetidine;4-Amino-3-nitrophenetole;4-Ethoxy-2-nitroaniline;4-Ethoxy-2-nitrobenzenamine;NSC 1320;NSC 58160; |
| EINECS: | 210-497-8 |
| Density: | 1.264 g/cm3 |
| Melting Point: | 111-113 °C(lit.) |
| Boiling Point: | 346.2 °C at 760 mmHg |
| Flash Point: | 163.2 °C |
| Appearance: | red to rust-brown crystals or crystalline powder |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 26-37/39 |
| PSA: | 81.07000 |
| LogP: | 2.68010 |
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| Conditions | Yield |
|---|---|
| With methanol; sodium hydride In tetrahydrofuran at 20℃; for 6h; | 83% |
| With hydrogenchloride | |
| With sulfuric acid |
| Conditions | Yield |
|---|---|
| Stage #1: 4-Ethoxyaniline With acetic anhydride; triethylamine In dichloromethane at 0 - 20℃; Stage #2: With nitric acid In dichloromethane at 0 - 20℃; Stage #3: With sodium hydride In tetrahydrofuran; methanol; mineral oil at 20℃; | 83% |
| Multi-step reaction with 2 steps 1: diethyl ether; potassium ethoxide View Scheme |
| Conditions | Yield |
|---|---|
| With lithium hydroxide monohydrate In ethanol at 60℃; | 75% |
| With potassium carbonate In hexane; ethyl acetate; acetonitrile | 50.8% |
- 616-86-4
2-nitro-4-ethoxyaniline
| Conditions | Yield |
|---|---|
| With sodium hydroxide | |
| With sulfuric acid |
- 380195-34-6
chloro-acetic acid-(4-ethoxy-2-nitro-anilide)
- 616-86-4
2-nitro-4-ethoxyaniline
| Conditions | Yield |
|---|---|
| With potassium hydroxide |
- 329063-81-2
lactic acid-(4-ethoxy-2-nitro-anilide)
- 616-86-4
2-nitro-4-ethoxyaniline
| Conditions | Yield |
|---|---|
| With potassium hydroxide |
- 108142-81-0
methanesulfonic acid-(4-ethoxy-2-nitro-anilide)
- 616-86-4
2-nitro-4-ethoxyaniline
| Conditions | Yield |
|---|---|
| With sulfuric acid |
- 901285-90-3
ethanesulfonic acid-(4-ethoxy-2-nitro-anilide)
- 616-86-4
2-nitro-4-ethoxyaniline
| Conditions | Yield |
|---|---|
| With sulfuric acid |
- 861560-26-1
2-nitro-toluene-4-sulfonic acid-(4-ethoxy-2-nitro-anilide)
- 616-86-4
2-nitro-4-ethoxyaniline
| Conditions | Yield |
|---|---|
| With sulfuric acid at 60 - 70℃; |
- Total:28 Page 1 of 1 1
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Specification
The Benzenamine,4-ethoxy-2-nitro-, with CAS registry number 616-86-4, belongs to the following product category: Intermediates of Dyes and Pigments. It has the systematic name of 4-ethoxy-2-nitroaniline. This chemical is a kind of red to rust-brown crystals or crystalline powder. What's more, its EINECS is 210-497-8.
Physical properties of Benzenamine,4-ethoxy-2-nitro-: (1)ACD/LogP: 2.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.47; (4)ACD/LogD (pH 7.4): 2.47; (5)ACD/BCF (pH 5.5): 44.65; (6)ACD/BCF (pH 7.4): 44.65; (7)ACD/KOC (pH 5.5): 527.88; (8)ACD/KOC (pH 7.4): 527.89; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 58.29 Å2; (13)Index of Refraction: 1.585; (14)Molar Refractivity: 48.34 cm3; (15)Molar Volume: 144 cm3; (16)Polarizability: 19.16×10-24cm3; (17)Surface Tension: 51 dyne/cm; (18)Density: 1.264 g/cm3; (19)Flash Point: 163.2 °C; (20)Enthalpy of Vaporization: 59.04 kJ/mol; (21)Boiling Point: 346.2 °C at 760 mmHg; (22)Vapour Pressure: 5.83E-05 mmHg at 25°C.
Uses of Benzenamine,4-ethoxy-2-nitro-: it can be used to produce 5-ethoxy-2-ethylbenzimidazole. This reaction will need reagent TiO2. The reaction time is 4 hour(s). The yield is about 96%.
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When you are using this chemical, please be cautious about it as the following:
The Benzenamine,4-ethoxy-2-nitro- irritates to eyes, respiratory system and skin. And this chemical is harmful by inhalation, in contact with skin and if swallowed. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1c(ccc(OCC)c1)N
(2)InChI: InChI=1/C8H10N2O3/c1-2-13-6-3-4-7(9)8(5-6)10(11)12/h3-5H,2,9H2,1H3
(3)InChIKey: ISFYBUAVOZFROB-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C8H10N2O3/c1-2-13-6-3-4-7(9)8(5-6)10(11)12/h3-5H,2,9H2,1H3
(5)Std. InChIKey: ISFYBUAVOZFROB-UHFFFAOYSA-N