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Cas Database |
| Name |
3-Methoxy-4-nitrobenzoic acid |
EINECS | 225-793-2 |
| CAS No. | 5081-36-7 | Density | 1.43 g/cm3 |
| PSA | 92.35000 | LogP | 1.82480 |
| Solubility | Insoluble in water. | Melting Point |
233-235 °C(lit.) |
| Formula | C8 H7 N O5 | Boiling Point | 404.9 °C at 760 mmHg |
| Molecular Weight | 197.147 | Flash Point | 198.7 °C |
| Transport Information | N/A | Appearance | light yellow to beige crystalline powder |
| Safety | 24/25 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xn
|
| Synonyms |
m-Anisicacid, 4-nitro- (6CI,7CI,8CI);4-Nitro-m-anisic acid;4-Nitro-3-methoxybenzoic acid; |
Article Data | 23 |
3-Methoxy-4-nitrobenzoic acid Synthetic route
- 38512-82-2
3-methoxy-4-nitrotoluene
- 5081-36-7
3-methoxy-4-nitrobenzoic acid
| Conditions | Yield |
|---|---|
| With potassium permanganate; sodium carbonate In water for 1.5h; Heating; | 100% |
| With potassium permanganate | 87% |
| With potassium permanganate; sodium hydrogencarbonate In water for 4h; Heating; | 73% |
| Conditions | Yield |
|---|---|
| Stage #1: methanol With sodium methylate In tetrahydrofuran at 0℃; for 0.25h; Inert atmosphere; Stage #2: 3-fluoro-4-nitrobenzoic acid In tetrahydrofuran at 0 - 25℃; for 1h; Inert atmosphere; | 100% |
| With sodium hydride In tetrahydrofuran at 0 - 20℃; for 2h; |
| Conditions | Yield |
|---|---|
| With water In methanol for 2h; Reflux; | 96% |
| With sodium hydroxide In tetrahydrofuran at 20℃; for 15h; | 86% |
| With sodium hydroxide In methanol for 0.5h; Yield given; | |
| With sodium hydroxide In tetrahydrofuran; methanol; water at 20℃; for 12h; | 5.1 g |
| With lithium hydroxide In methanol; water at 20℃; for 20h; |
| Conditions | Yield |
|---|---|
| Stage #1: methanol With sodium hydride In tetrahydrofuran at 0℃; for 0.25h; Stage #2: methyl 3-fluoro-4-nitrobenzoate In tetrahydrofuran at 0 - 20℃; for 2h; | 82% |
- 22106-39-4
1-(3-methoxy-4-nitrophenyl)ethanone
- 5081-36-7
3-methoxy-4-nitrobenzoic acid
| Conditions | Yield |
|---|---|
| With copper (II) nitrate tetrahydrate; oxygen In acetonitrile at 180℃; under 18751.9 Torr; for 1.5h; Green chemistry; | 77% |
| Conditions | Yield |
|---|---|
| durch Methylierung; | |
| Multi-step reaction with 3 steps 1: thionyl chloride / 15 h / 0 - 20 °C 2: potassium carbonate / N,N-dimethyl-formamide / 15 h / 20 °C 3: sodium hydroxide / tetrahydrofuran / 15 h / 20 °C View Scheme | |
| Multi-step reaction with 2 steps 1: N,N-dimethyl-formamide / 90 °C 2: water / methanol / 2 h / Reflux View Scheme |
- 80410-57-7
3-methoxy-4-nitrobenzaldehyde
- 5081-36-7
3-methoxy-4-nitrobenzoic acid
| Conditions | Yield |
|---|---|
| durch Oxydation; | |
| With potassium permanganate | |
| With silver(l) oxide |
- 118510-04-6
3-(3-Methoxy-4-nitrophenyl)-2-propenoic acid
- 5081-36-7
3-methoxy-4-nitrobenzoic acid
| Conditions | Yield |
|---|---|
| With potassium permanganate; sodium carbonate | |
| Multi-step reaction with 2 steps 1: alkali; potassium permanganate / ein wahrscheinlich unreines Praeparat 2: silver oxide View Scheme |
| Conditions | Yield |
|---|---|
| With potassium hydroxide | |
| Multi-step reaction with 2 steps 1.1: methanol; hexane; dichloromethane / 0.67 h / 20 °C 2.1: sodium hydride / tetrahydrofuran / 0.25 h / 0 °C 2.2: 2 h / 0 - 20 °C View Scheme |
- 586-38-9
3-Methoxybenzoic acid
A
- 4920-80-3
3-methoxy-2-nitrobenzoic acid
B
- 5081-36-7
3-methoxy-4-nitrobenzoic acid
| Conditions | Yield |
|---|---|
| With sulfuric acid; nitric acid; acetic anhydride at -10 - -5℃; |
3-Methoxy-4-nitrobenzoic acid Chemical Properties
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IUPAC Name: 3-Methoxy-4-nitrobenzoic acid
Molecular Formula: C8H7NO5
Molecular Weight: 197.15 g/mol
Canonical SMILES: [N+](c1c(cc(C(=O)O)cc1)OC)([O-])=O
InChI: InChI=1/C8H7NO5/c1-14-7-4-5(8(10)11)2-3-6(7)9(12)13/h2-4H,1H3,(H,10,11)
EINECS: 225-793-2
Product Categories: blocks; Carboxes; Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Benzoic acid; C8; Carbonyl Compounds; Carboxylic Acids
Index of Refraction: 1.588
Molar Refractivity: 46.4 cm3
Molar Volume: 137.8 cm3
Polarizability: 18.39×10-24 cm3
Surface Tension: 58.7 dyne/cm
Density: 1.43 g/cm3
Flash Point: 198.7 °C
Enthalpy of Vaporization: 69.22 kJ/mol
Boiling Point: 404.9 °C at 760 mmHg
Melting Point: 233-235 °C(lit.)
Vapour Pressure of 3-Methoxy-4-nitrobenzoic acid (CAS NO.5081-36-7): 2.78E-07 mmHg at 25 °C
3-Methoxy-4-nitrobenzoic acid Safety Profile
Hazard Codes: 
Xn
Risk Statements: 36/37/38
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 24/25
S24/25: Avoid contact with skin and eyes.
RIDADR: Cool, dry,tightly closed
WGK Germany of 3-Methoxy-4-nitrobenzoic acid (CAS NO.): 3
3-Methoxy-4-nitrobenzoic acid Specification
3-Methoxy-4-nitrobenzoic acid (CAS NO.5081-36-7), its Synonyms are 4-Nitro-3-methoxybenzoic acid ; 4-Nitro-m-anisic acid ; 3-Methoxy-4-nitrobenzoic acid, 98+% . It is light yellow to beige crystalline powder.
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