4,5-Dimethoxy-2-nitrobenzoic acid
- CAS No.
- 4998-07-6
- Chemical Name:
- 4,5-Dimethoxy-2-nitrobenzoic acid
- Synonyms
- 6-NITROVERATRIC ACID;4-Nitroveratic acid;RARECHEM AL BO 1523;6-Nitroveratriceacid;4,5-Dimethoxy-2-nitr;6-Nitroveratricacid,99%;6-NITROVERATRIC ACID 99%;4,5-Dimethoxy-2-nitrobenzoic;4,5-dimethoxy-2-nitrobenzoate;3,4-DIMETHOXY-6-NITROBENZOIC ACID
- CBNumber:
- CB7364668
- Molecular Formula:
- C9H9NO6
- Molecular Weight:
- 227.17
- MOL File:
- 4998-07-6.mol
- MSDS File:
- SDS
- Modify Date:
- 2024/5/21 14:26:51
| Melting point | 195-197 °C(lit.) |
|---|---|
| Boiling point | 368.87°C (rough estimate) |
| Density | 1.4777 (rough estimate) |
| refractive index | 1.5800 (estimate) |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | Acetonitrile (Slightly), DMSO (Slightly), Methanol (Slightly) |
| form | Crystalline Powder |
| pka | 2.34±0.25(Predicted) |
| color | Yellow |
| Water Solubility | Insoluble in water. Soluble in DMSO and methanol. Solubility in hot 1mol/L NaOH (almost transparency). |
| BRN | 2123903 |
| InChI | InChI=1S/C9H9NO6/c1-15-7-3-5(9(11)12)6(10(13)14)4-8(7)16-2/h3-4H,1-2H3,(H,11,12) |
| InChIKey | WWCMFGBGMJAJRX-UHFFFAOYSA-N |
| SMILES | C(O)(=O)C1=CC(OC)=C(OC)C=C1[N+]([O-])=O |
| CAS DataBase Reference | 4998-07-6(CAS DataBase Reference) |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS07 |
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|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Warning | |||||||||
| Hazard statements | H315-H319-H335 | |||||||||
| Precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 | |||||||||
| Hazard Codes | Xi | |||||||||
| Risk Statements | 36/37/38 | |||||||||
| Safety Statements | 26-37/39 | |||||||||
| WGK Germany | 3 | |||||||||
| HS Code | 29189900 | |||||||||
| NFPA 704 |
|
4,5-Dimethoxy-2-nitrobenzoic acid price More Price(8)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich(India) | 329231 | 4,5-Dimethoxy-2-nitrobenzoic acid 99% | 4998-07-6 | 5G | ₹1558.8 | 2022-06-14 | Buy |
| Sigma-Aldrich(India) | 329231 | 4,5-Dimethoxy-2-nitrobenzoic acid 99% | 4998-07-6 | 25G | ₹11052.33 | 2022-06-14 | Buy |
| Sigma-Aldrich(India) | 329231 | 4,5-Dimethoxy-2-nitrobenzoic acid 99% | 4998-07-6 | 100G | ₹31457.45 | 2022-06-14 | Buy |
| ALFA India | ALF-L08510-22 | 4,5-Dimethoxy-2-nitrobenzoic acid, 98% | 4998-07-6 | 100g | ₹21502 | 2022-05-26 | Buy |
| TCI Chemicals (India) | D2628 | 4,5-Dimethoxy-2-nitrobenzoic Acid min. 98.0 % | 4998-07-6 | 5G | ₹3500 | 2022-05-26 | Buy |
4,5-Dimethoxy-2-nitrobenzoic acid Chemical Properties,Uses,Production
Chemical Properties
Yellow crystalline powder
Uses
4,5-Dimethoxy-2-nitrobenzoic acid was used in the synthesis of 4,5-dimethoxy-2-nitrobenzamide and 6,7-dimethoxyquinazoline derivatives.
Application
4,5-dimethoxy-2-nitrobenzoic acid in the reaction with organotin oxides/halides yields the organotin carboxylates in anhydrous toluene. The resulting triorganotin carboxylates are one-dimensional polymers that are solid with trigonal bipyramidal geometry, while in solution, they are tetrahedral. Reaction of di-n-butyl tin oxide with 4,5-dimethoxy-2-nitrobenzoic acid yields Tetrabutylbis(4,5-dimethoxy-2-nitro benzoate)Distannoxane Dimer crystallizes as the usual dicarboxylatotetraorganodistannoxane dimer[1-2].
General Description
4,5-Dimethoxy-2-nitrobenzoic acid is a nitroaromatic compound.
Synthesis
In 3,4-dimethoxy-6-nitrobenzaldehyde (10 g)The reaction medium (20 mL of water, 30 mL of methanol)Acetic acid (3.5 mL), 30% hydrogen peroxide (9 mL)Stir well and add sodium chlorite (content 80%, 9g) in water (5mL); Stirring warming to about 50, monitoring the reaction, After the reaction was completed, sodium bisulfite (10.5 g) was added to quench the reaction, The solvent was evaporated to dryness, the product was dissolved in a solution of sodium hydroxide (6g × 10mL)Filtered to remove impurities, the filtrate was added sulfuric acid to pH 1 precipitated product, Filter and dry and obtained product 4,5-Dimethoxy-2-nitrobenzoic acid 10g (93% yield, high-performance liquid chromatography 99.5% purity).
References
[1] Farooq Ali Shah. “Synthesis, Characterization and Crystal Structure of Tetrabutylbis(4,5-dimethoxy-2-nitro benzoato)Distannoxane Dimer.” Journal of Chemical Crystallography 41 9 (2011).
[2] F. A. Shah. “Organotin(IV) complexes of 4,5-dimethoxy-2-nitrobenzoic acid: Synthesis, characterization, and biological activity.” Russian Journal of Coordination Chemistry 35 12 (2009).
4,5-Dimethoxy-2-nitrobenzoic acid Preparation Products And Raw materials
Raw materials
Preparation Products
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| TCI Chemicals (India) Pvt. Ltd. | 1800 425 7889 | New Delhi, India | 6778 | 58 | Inquiry |
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