| Identification | More | [Name]
4,5-Dimethoxy-2-nitrobenzoic acid | [CAS]
4998-07-6 | [Synonyms]
2-NITRO-4,5-DIMETHOXYBENZOIC ACID
3,4-DIMETHOXY-6-NITROBENZOIC ACID
4,5-DIMETHOXY-2-NITROBENZOIC ACID
6-NITROVERATRIC ACID
RARECHEM AL BO 1523
6-Nitroveratriceacid
2-Nitro-4,5-Dimethoxybenzoic Acid 4,5-Dimethoxy-2-Nitrobenzoic Acid
6-Nitroveratricacid,99%
4,5-Dimethoxy-2-nitrobenzoic
6-NITROVERATRIC ACID 99%
Benzoic acid, 4,5-dimethoxy-2-nitro- | [EINECS(EC#)]
225-657-2 | [Molecular Formula]
C9H9NO6 | [MDL Number]
MFCD00014697 | [Molecular Weight]
227.17 | [MOL File]
4998-07-6.mol |
| Chemical Properties | Back Directory | [Appearance]
Yellow crystalline powder | [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 Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H315-H319-H335 | [Precautionary statements ]
P261-P264-P271-P280-P302+P352-P305+P351+P338 | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection . | [WGK Germany ]
3
| [HS Code ]
29189900 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [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).
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