ChemicalBook--->CAS DataBase List--->528-45-0

528-45-0

528-45-0 Structure

528-45-0 Structure
IdentificationMore
[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 PropertiesBack 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 DataBack 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 ProductsBack 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-
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

3,4-Dinitrobenzoic acid(528-45-0).msds
Hazard InformationBack 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.]
Spectrum DetailBack Directory
[Spectrum Detail]

3,4-Dinitrobenzoic acid(528-45-0)MS
3,4-Dinitrobenzoic acid(528-45-0)1HNMR
3,4-Dinitrobenzoic acid(528-45-0)13CNMR
3,4-Dinitrobenzoic acid(528-45-0)IR1
3,4-Dinitrobenzoic acid(528-45-0)IR2
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3,4-Dinitrobenzoic acid, 99%(528-45-0)
[Alfa Aesar]

3,4-Dinitrobenzoic acid, 99%(528-45-0)
[Sigma Aldrich]

528-45-0(sigmaaldrich)
[TCI AMERICA]

3,4-Dinitrobenzoic Acid,>98.0%(T)(528-45-0)
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