| Identification | More | [Name]
3,4-Dinitrobenzoic acid | [CAS]
528-45-0 | [Synonyms]
3,4-DINITROBENZOIC ACID
LABOTEST-BB LT00455432
RARECHEM AL BO 0260
3,4-DINITROBENZOIC ACID OEKANAL, 250 MG
3,4-Dinitrobenzoic acid 99% | [EINECS(EC#)]
208-433-9 | [Molecular Formula]
C7H4N2O6 | [MDL Number]
MFCD00007255 | [Molecular Weight]
212.12 | [MOL File]
528-45-0.mol |
| Chemical Properties | Back Directory | [Appearance]
yellowish crystals or crystalline powder | [Melting point ]
163-166 °C | [Boiling point ]
351.93°C (rough estimate) | [density ]
1.7333 (rough estimate) | [refractive index ]
1.5300 (estimate) | [form ]
neat | [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]
528-45-0(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn,Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed . | [Safety Statements ]
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
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 | [RTECS ]
DG9140650 | [Hazard Note ]
Irritant | [TSCA ]
Yes | [HS Code ]
29163990 |
| Raw materials And Preparation Products | Back Directory | [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- |
| Hazard Information | Back Directory | [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.] |
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