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4-Bromo-2-nitrobenzoic acid(CAS# 99277-71-1)

Chemical Property:

Molecular Formula C7H4BrNO4
Molar Mass 246.01
Density 1.892±0.06 g/cm3(Predicted)
Melting Point 165-169 °C
Boling Point 368.6±32.0 °C(Predicted)
Flash Point 176.7°C
Solubility soluble in Methanol
Vapor Presure 4.38E-06mmHg at 25°C
Appearance powder to crystal
Color White to Gray to Brown
pKa 1.97±0.25(Predicted)
Storage Condition Sealed in dry,Room Temperature

Product Detail

Product Tags

Risk Codes R22 - Harmful if swallowed
R36/37/38 - Irritating to eyes, respiratory system and skin.
R43 - May cause sensitization by skin contact
R50 - Very Toxic to aquatic organisms
Safety Description S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37 - Wear suitable protective clothing and gloves.
S61 - Avoid release to the environment. Refer to special instructions / safety data sheets.
UN IDs UN 3077 9/PG 3
WGK Germany 2
HS Code 29163990
Hazard Class IRRITANT
Packing Group III

 

Introduction

4-Bromo-2-nitrobenzoic acid (CAS 99277-71-1) is a multifunctional halogenated nitrobenzoic acid that serves as a critical pharmaceutical intermediate and versatile building block. Its primary application is as a key precursor in the synthesis of Lonafarnib, a farnesyltransferase inhibitor with potential anticancer activity against certain leukemias and other cancers. The compound undergoes Negishi-type coupling with dimethylzinc under palladium-phosphine catalysis, a critical step in constructing the Lonafarnib scaffold. Beyond oncology, this anthranilic acid derivative functions as a radiolabel for the positron emission tomography (PET) diagnosis of bladder cancer, where its uptake in bladder tissue is proportional to cell number. As a versatile research chemical, it serves as a biochemical reagent and sulfonylation reagent for organic synthesis and drug discovery. Its utility extends to the synthesis of agrochemical compounds, dye intermediates, and substituted benzoic acid derivatives. The presence of bromine, nitro, and carboxylic acid groups allows for diverse functionalization via cross-coupling, reduction, and amidation reactions. Xinchem offers custom synthesis, custom chemical synthesis, and contract manufacturing of high-purity 4-Bromo-2-nitrobenzoic acid with flexible scaling from R&D to commercial tons. Contact us for a competitive quote and reliable global supply.


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