528-45-0

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 NO: 528-45-0
• Molecular Formula: C₇H₄N₂O₆
• Molecular Weight: 212.12
• EINECS: 208-433-9
• Product Categories: Benzoic acid;Alpha Sort;Analytical Standards;AromaticsVolatiles/ Semivolatiles;Chemical Class;D;DAlphabetic;DID - DINAnalytical Standards;Food&Beverage Standards;Nitro CompoundsChromatography;Organic Acids
• Mol File: 528-45-0.mol
• Article Data: 4

Chemical Properties

• Melting Point: 163-166 °C
• Boiling Point: 351.93°C (rough estimate)
• Flash Point: 208.4 °C
• Appearance: yellowish crystals or crystalline powder
• Density: 1.7333 (rough estimate)
• Vapor Pressure: 3.2E-09mmHg at 25°C
• Refractive Index: 1.5300 (estimate)
• PKA: pK1:2.82 (25°C)
• Water Solubility: 6.7g/L(25 oC)
• Merck: 14,3275
• BRN: 2055333
• CAS DataBase Reference: 3,4-Dinitrobenzoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 3,4-Dinitrobenzoic acid(528-45-0)
• EPA Substance Registry System: 3,4-Dinitrobenzoic acid(528-45-0)

Safety Data

• Hazard Codes: Xn,Xi
• Statements: 36/37/38-20/21/22
• Safety Statements: 36/37/39-26-37/39
• WGK Germany: 3
• RTECS: DG9140650
• TSCA: Yes
• Hazardous Substances Data: 528-45-0(Hazardous Substances Data)

Usage

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.]

InChI:InChI=1/C7H4N2O6/c10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h1-3H,(H,10,11)

Upstream product

• 610-39-9 3,4-Dinitrotoluene 
• 14070-37-2 2,4,7-Trinitrofluorenone 
• 62-23-7 4-nitro-benzoic acid 
• 6971-33-1 4-methyl-2-nitro-1-nitrosobenzene 
• 89-62-3 4-methyl-2-nitroaniline 
• 35998-98-2 2,4-dinitrobenzaldehyde 
• 99-08-1 1-methyl-3-nitrobenzene 

Downstream Products

• 89-41-8 4-methoxy-3-nitrobenzoic acid 
• 616-82-0 3-nitro-4-hydroxybenzoic acid 
• 24376-18-9 3,4-dinitrobenzoyl chloride 
• 124839-12-9 4-(N'-acetyl-hydrazino)-3-nitro-benzoic acid 
• 56637-43-5 4-hydrazino-3-nitro-benzoic acid 
• 1588-83-6 4-amino-3-nitrobenzoic acid 
• 96461-37-9 3,5-dinitro-benzoic acid-[2]pyridylmethyl ester 
• 28096-56-2 4-(N,N-dimethylamino)-3-nitrobenzoic acid 
• 15150-93-3 3-nitro-4-hydroxyaminobenzoic acid 
• 33609-48-2 3,4-dinitrobenzophenone 
• 344-47-8 4,4'-dinitro-2,2'-bistrifluoromethyldiphenyl ether 
• 62754-22-7 tert-butyl 3,4-dinitrobenzoate 
• 1105057-30-4 3,4-dinitrobenzoic anhydride 
• 1155197-46-8 2-(3,4-dinitrophenyl)-1H-benzimidazole-5-carboxamidine 

Relevant articles and documents

A new procedure for preparing 3,4-dinitrobenzoic acid

A new efficient procedure of synthesis of 3,4-dinitrotoluene from 3-nitro-4-aminotoluene was developed. Oxidation of 3,4-dinitrotoluene with an ozone-oxygen mixture to 3,4-dinitrobenzoic acid in the presence of cobalt(II) acetate was studied.

A green, reusable and highly efficient solid acid catalyst for the oxidation of aldehydes to the corresponding carboxylic acids using H 2O2 and KMnO4:H5PV 2Mo10O40 (10-molybdo-2-vanadophosphoric heteropolyacid)

H5PV2Mo10O40-catalyzed oxidation of aromatic aldehydes to the corresponding carboxylic acids using hydrogen peroxide and KMnO4 as oxidants under mild conditions is reported. This system provides an efficient, convenient and practical method for the oxidation of aromatic aldehydes. In this work, differences between Keggin and Well-Dawson type polyoxometalates are addressed in term of relative stability, hardness and acidity.