Introduction：Basic information about 3,4-Dinitrobenzoic acid CAS 528-45-0, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
3,4-Dinitrobenzoic acid Basic information
| Product Name: | 3,4-Dinitrobenzoic acid |
| Synonyms: | LABOTEST-BB LT00455432;3,4-DINITROBENZOIC ACID;RARECHEM AL BO 0260;3,4-DINITROBENZOIC ACID OEKANAL, 250 MG;3,4-Dinitrobenzoic acid 99%;3,4-Dinitrobenzoic acid,99%;1-Carboxy-3,4-dinitrobenzene;3,4-Dinitrobenzoic acid, 99% 5GR |
| CAS: | 528-45-0 |
| MF: | C7H4N2O6 |
| MW: | 212.12 |
| EINECS: | 208-433-9 |
| Product Categories: | AromaticsVolatiles/ Semivolatiles;Chemical Class;D;DAlphabetic;DID - DINAnalytical Standards;Food&Beverage Standards;Benzoic acid;Alpha Sort;Analytical Standards;Nitro CompoundsChromatography;Organic Acids |
| Mol File: | 528-45-0.mol |
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3,4-Dinitrobenzoic acid Chemical Properties
| Melting point | 163-166 °C |
| Boiling point | 351.93°C (rough estimate) |
| density | 1.7333 (rough estimate) |
| refractive index | 1.5300 (estimate) |
| pka | pK1:2.82 (25°C) |
| color | Light orange to Yellow to Green |
| Water Solubility | 6.7g/L(25 ºC) |
| Merck | 14,3275 |
| BRN | 2055333 |
| CAS DataBase Reference | 528-45-0(CAS DataBase Reference) |
| EPA Substance Registry System | Benzoic acid, 3,4-dinitro- (528-45-0) |
Safety Information
| Hazard Codes | Xn,Xi |
| Risk Statements | 36/37/38-20/21/22 |
| Safety Statements | 36/37/39-26-37/39 |
| WGK Germany | 3 |
| RTECS | DG9140650 |
| Hazard Note | Irritant |
| TSCA | TSCA listed |
| HS Code | 29163990 |
3,4-Dinitrobenzoic acid Usage And Synthesis
| Chemical Properties | yellowish crystals or crystalline powder |
| Uses | 3,4-Dinitrobenzoic Acid, is used for the synthesis of more complex compounds such as metabolites of Brimonidine (B677520). It is also a specific substrate of glutathione S-transferase (GST), that can be used for the enzyme imaging and studies. It is an important corrosion inhibitor and is also used in photography. |
| Purification Methods | Crystallise the acid from EtOH by addition of water. [Beilstein 9 III 1778, 9 IV 1242.] |
3,4-Dinitrobenzoic acid Preparation Products And Raw materials
| Raw materials | Potassium dichromate-->Potassium persulfate-->4-Methyl-2-nitroaniline-->2,5-DINITROBENZOIC ACID-->3-NITRO-4-NITROSOTOLUENE-->9H-Fluoren-9-one,2,3,7-trinitro--->3,4-Dinitro-benzaldehyde-->3,4-DINITROTOLUENE-->2,4-DINITROBENZOIC ACID-->3-Nitrotoluene-->4-Nitrobenzoic acid |
| Preparation Products | (3,4-DIAMINO-PHENYL)-(4-METHYL-PIPERAZIN-1-YL)-METHANONE-->3,4-DIAMINO-N-(2-DIMETHYLAMINO-ETHYL)-N-METHYL-BENZAMIDE-->Ethyl 3,4-dinitrobenzoate-->Methanone, (3,4-dinitrophenyl)-4-Morpholinyl- |
