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| CAS No.: | 713-52-0 |
|---|---|
| Name: | Methyl 3-hydroxy-4-nitrobenzoate |
| Article Data: | 52 |
| Molecular Structure: | |
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|
|
| Formula: | C8H7NO5 |
| Molecular Weight: | 197.147 |
| Synonyms: | 3-Hydroxy-4-nitrobenzoicacid methyl ester;NSC 163972; |
| Density: | 1.432 g/cm3 |
| Melting Point: | 90-91 °C |
| Boiling Point: | 346.4 °C at 760 mmHg |
| Flash Point: | 163.3 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 92.35000 |
| LogP: | 1.61020 |
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- 71825-51-92-methyl-2-(4-nitrophenyl)propanenitrile
| Conditions | Yield |
|---|---|
| With sulfuric acid at 65℃; for 17h; | 100% |
| With thionyl chloride at 0℃; for 12h; Reflux; Inert atmosphere; | 100% |
| With thionyl chloride at 0℃; for 17h; Reflux; Inert atmosphere; | 100% |
- 326799-92-2
methyl 4-nitro-3-(prop-2-en-1-yloxy)benzoate
- 713-52-0
methyl 3-hydroxy-4-nitrobenzoate
| Conditions | Yield |
|---|---|
| With tetrakis(triphenylphosphine) palladium(0); potassium carbonate In methanol at 20℃; for 6h; | 95% |
- 619-14-7
3-hydroxy-4-nitro-benzoic acid
- 18107-18-1
diazomethyl-trimethyl-silane
- 713-52-0
methyl 3-hydroxy-4-nitrobenzoate
| Conditions | Yield |
|---|---|
| In methanol; diethyl ether; toluene at 0℃; for 0.5h; Inert atmosphere; | 90% |
| Conditions | Yield |
|---|---|
| 85% | |
| With hydrogenchloride; methanol In water Heating / reflux; | |
| With sulfuric acid In methanol |
- 619-14-7
3-hydroxy-4-nitro-benzoic acid
- 75-36-5
acetyl chloride
- 713-52-0
methyl 3-hydroxy-4-nitrobenzoate
| Conditions | Yield |
|---|---|
| In methanol |
- 713-52-0
methyl 3-hydroxy-4-nitrobenzoate
- 63435-16-5
3-hydroxy-4-aminobenzoic acid methyl ester
| Conditions | Yield |
|---|---|
| With palladium on activated charcoal; hydrogen In methanol under 760.051 Torr; for 4h; | 100% |
| With hydrogen; palladium on activated charcoal In ethanol for 6h; | 98% |
| With hydrogenchloride; tin(ll) chloride | |
| With palladium on carbon; hydrogen In ethanol | |
| With hydrogenchloride; tin(ll) chloride |
- 713-52-0
methyl 3-hydroxy-4-nitrobenzoate
- 100-39-0
benzyl bromide
- 209528-69-8
methyl 3-(benzyloxy)-4-nitrobenzoate
| Conditions | Yield |
|---|---|
| With potassium carbonate In acetone at 56℃; for 17h; | 100% |
| With potassium carbonate In acetone at 56℃; for 17h; Inert atmosphere; | 100% |
| With potassium carbonate In acetone Heating; | 93% |
| Conditions | Yield |
|---|---|
| With sodium chloride; potassium carbonate In N,N-dimethyl-formamide | 100% |
| With potassium carbonate In N,N-dimethyl-formamide at 65℃; for 4h; |
| Conditions | Yield |
|---|---|
| With potassium carbonate In N,N-dimethyl-formamide | 100% |
| With potassium carbonate In N,N-dimethyl-formamide at 50℃; Reflux; Inert atmosphere; | 83.7% |
- 713-52-0
methyl 3-hydroxy-4-nitrobenzoate
- 6482-24-2
2-Bromoethyl methyl ether
- 1176327-21-1
methyl 3-(2-methoxyethoxy)-4-nitrobenzoate
| Conditions | Yield |
|---|---|
| With potassium carbonate; potassium iodide In N,N-dimethyl-formamide at 20 - 70℃; | 100% |
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Specification
This chemical is called Benzoic acid, 3-hydroxy-4-nitro-, methyl ester, and its systematic name is Methyl 3-hydroxy-4-nitrobenzoate. With the molecular formula of C8H7NO5, its molecular weight is 197.14. The CAS registry number of this chemical is 713-52-0. Additionally, its product categories are Blocks; Carboxes; NitroCompounds; Aromatic Esters.
Other characteristics of the Benzoic acid, 3-hydroxy-4-nitro-, methyl ester can be summarised as followings: (1)ACD/LogP: 1.99; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 81.35 Å2; (7)Index of Refraction: 1.59; (8)Molar Refractivity: 46.45 cm3; (9)Molar Volume: 137.5 cm3; (10)Polarizability: 18.41×10-24cm3; (11)Surface Tension: 59.7 dyne/cm; (12)Density: 1.432 g/cm3; (13)Flash Point: 163.3 °C; (14)Enthalpy of Vaporization: 61.39 kJ/mol; (15)Boiling Point: 346.4 °C at 760 mmHg; (16)Vapour Pressure: 2.88E-05 mmHg at 25°C.
Production method of this chemical: The Benzoic acid, 3-hydroxy-4-nitro-, methyl ester could be obtained by the reactants of methanol and 3-hydroxy-4-nitro-benzoic acid. This reaction needs the reagent of conc. H2SO4. The yield is 70 %. The other condition is heating.
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Uses of this chemical: The Benzoic acid, 3-hydroxy-4-nitro-, methyl ester could react with 1,2-dibromo-ethane, and obtain the 3-(2-bromo-ethoxy)-4-nitro-benzoic acid methyl ester. This reaction needs the reagent of K2CO3, and the solvent of dimethylformamide. The yield is 56 %. In addition, this reaction should be taken for 2 hours at the temperature of 100 °C.
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When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting 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-])c1ccc(cc1O)C(=O)OC
2.InChI: InChI=1/C8H7NO5/c1-14-8(11)5-2-3-6(9(12)13)7(10)4-5/h2-4,10H,1H3
3.InChIKey: UEGCRFNWTGYVKX-UHFFFAOYAP