99277-71-1

Basic information

• Product Name: 4-Bromo-2-nitrobenzoic acid
• Synonyms: 4-BROMO-2-NITROBENZOIC ACID;2-NITRO-4-BROMO BENZOIC ACID;4-Bromo-2-Nitrobenzoic Acid 2-Nitro-4-Bromobenzoic Acid;4-bromo-2-nitrobenzoic;Bromonitrobenzoicacid 42---;5-Bromo-2-carboxynitrobenzene;2-Bromo-2-nitrobenzoic acid
• CAS NO: 99277-71-1
• Molecular Formula: C₇H₄BrNO₄
• Molecular Weight: 246.01
• EINECS: 1312995-182-4
• Product Categories: blocks;Bromides;Carboxes;NitroCompounds;Multisubstituted Benzene;Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts;C7;Carbonyl Compounds;Carboxylic Acids;intermediate
• Mol File: 99277-71-1.mol

Chemical Properties

• Melting Point: 165-169 °C
• Boiling Point: 368.6 °C at 760 mmHg
• Flash Point: 176.7 °C
• Appearance: /
• Density: 1.892 g/cm³
• Vapor Pressure: 4.38E-06mmHg at 25°C
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility: soluble in Methanol
• PKA: 1.97±0.25(Predicted)
• CAS DataBase Reference: 4-Bromo-2-nitrobenzoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 4-Bromo-2-nitrobenzoic acid(99277-71-1)
• EPA Substance Registry System: 4-Bromo-2-nitrobenzoic acid(99277-71-1)

Safety Data

• Hazard Codes: Xn,N,Xi
• Statements: 22-36/37/38-43-50
• Safety Statements: 26-36/37-61
• RIDADR: UN 3077 9/PG 3
• WGK Germany: 2
• HazardClass: IRRITANT
• PackingGroup: III
• Hazardous Substances Data: 99277-71-1(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
4-Bromo-2-nitrobenzoic acid is used as an intermediate in the synthesis of Lonafarnib (L469445), a potential anticancer agent. It plays a crucial role in the development of this drug, which targets specific enzymes involved in cancer cell growth and proliferation.
Used in Organic Synthesis:
4-Bromo-2-nitrobenzoic acid is used as a reactant in Negishi-type coupling reactions with dimethylzinc in the presence of palladium-phosphine catalysis. This reaction allows for the formation of new carbon-carbon bonds, enabling the synthesis of a wide range of organic compounds with potential applications in various industries, including pharmaceuticals, agrochemicals, and materials science.

InChI:InChI=1/C7H4BrNO4/c8-4-1-2-5(7(10)11)6(3-4)9(12)13/h1-3H,(H,10,11)/p-1

Upstream product

• 610-36-6 4-amino-2-nitrobenzoic acid 
• 402948-06-5 3-(1H-benzoimidazol-2-yl)-4-hydroxy-1H-[1,7]naphthyridin-2-one 
• 106-38-7 para-bromotoluene 
• 5551-12-2 4-bromo-2-nitrobenzaldehyde 
• 88-72-2 1-methyl-2-nitrobenzene 
• 875-51-4 4-Bromo-2-nitroaniline 
• 60956-26-5 4-bromo-2-nitrotoluene 
• 79603-03-5 4-bromo-2-nitro-benzonitrile 

Downstream Products

• 20776-50-5 2-amino-4-bromobenzoic acid 
• 102000-74-8 4-bromo-2,3-dinitro-benzoic acid 
• 102000-62-4 4-bromo-2,5-dinitro-benzoic acid 
• 112734-21-1 4-bromo-2-nitro-benzoyl chloride 
• 928839-70-7 4-bromo-N-(3-chlorophenyl)-2-nitrobenzamide 
• 1224724-39-3 methyl 4-bromo-1H-indole-7-carboxylate 
• 1233091-76-3 C₁₄H₈BrFN₆O₅S 
• 1119265-95-0 C₈H₅BrN₄O₂S 
• 1352637-93-4 3-nitrobiphenyl-4-carboxylic acid (3,4,5-trimethoxyphenyl)amide 
• 1352638-16-4 3-nitrobiphenyl-4-carboxylic acid (3,4-dihydroxy-5-methoxyphenyl)amide 
• 1393456-12-6 C₁₅H₁₀BrNO₂S 
• 1464154-95-7 (4-bromo-2-nitrophenyl)(4-methylpiperazin-1-yl)methanone 
• 1464156-86-2 (4-methylpiperazin-1-yl)(2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanone 
• 1464151-16-3 4-(6-(4-(4-methylpiperazine-1-carbonyl)-3-nitrophenyl)imidazo[1,2-b]pyridazin-3-yl)benzonitrile 

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