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CAS No.: | 5081-36-7 |
---|---|
Name: | 3-Methoxy-4-nitrobenzoic acid |
Article Data: | 23 |
Molecular Structure: | |
Formula: | C8 H7 N O5 |
Molecular Weight: | 197.147 |
Synonyms: | m-Anisicacid, 4-nitro- (6CI,7CI,8CI);4-Nitro-m-anisic acid;4-Nitro-3-methoxybenzoic acid; |
EINECS: | 225-793-2 |
Density: | 1.43 g/cm3 |
Melting Point: | 233-235 °C(lit.) |
Boiling Point: | 404.9 °C at 760 mmHg |
Flash Point: | 198.7 °C |
Solubility: | Insoluble in water. |
Appearance: | light yellow to beige crystalline powder |
Hazard Symbols: | Xn |
Risk Codes: | 36/37/38 |
Safety: | 24/25 |
PSA: | 92.35000 |
LogP: | 1.82480 |
3-methoxy-4-nitrotoluene
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% |
1-(3-methoxy-4-nitrophenyl)ethanone
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 |
3-methoxy-4-nitrobenzaldehyde
3-methoxy-4-nitrobenzoic acid
Conditions | Yield |
---|---|
durch Oxydation; | |
With potassium permanganate | |
With silver(l) oxide |
3-(3-Methoxy-4-nitrophenyl)-2-propenoic acid
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 |
3-Methoxybenzoic acid
A
3-methoxy-2-nitrobenzoic acid
B
3-methoxy-4-nitrobenzoic acid
Conditions | Yield |
---|---|
With sulfuric acid; nitric acid; acetic anhydride at -10 - -5℃; |
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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
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 (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.