2-Bromo-4-nitrobenzoic acid

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Company Name: Jiaxing Deyi Chemical Co., Ltd.  Gold
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Company Name: Xinyi Kangda Biological Technology Co., Ltd.  Gold
Tel: 16503038585
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Company Name: J & K SCIENTIFIC LTD.  
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Company Name: Meryer (Shanghai) Chemical Technology Co., Ltd.  
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Company Name: TCI (Shanghai) Development Co., Ltd.  
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2-Bromo-4-nitrobenzoic acid manufacturers

2-Bromo-4-nitrobenzoic acid Basic information
Product Name:2-Bromo-4-nitrobenzoic acid
Synonyms:2-Bromo-4-nitrobenzoic acid 98%;BENZOIC ACID, 2-BROMO-4-NITRO;NSC 227965;3-Bromo-4-carboxynitrobenzene;2-Bromo-4-nitrobenzoic Acid >;Metoclopramide Impurity 104
CAS:16426-64-5
MF:C7H4BrNO4
MW:246.01
EINECS:
Product Categories:intermediate;Aromatics Compounds;Aromatics;blocks;Bromides;Carboxes
Mol File:16426-64-5.mol
2-Bromo-4-nitrobenzoic acid Structure
2-Bromo-4-nitrobenzoic acid Chemical Properties
Melting point 165-168°C
Boiling point 381.6±32.0 °C(Predicted)
density 2.0176 (rough estimate)
refractive index 1.6200 (estimate)
storage temp. Sealed in dry,Room Temperature
solubility soluble in Methanol
pka1.98±0.13(Predicted)
form powder to crystal
color Light orange to Yellow to Green
InChIInChI=1S/C7H4BrNO4/c8-6-3-4(9(12)13)1-2-5(6)7(10)11/h1-3H,(H,10,11)
InChIKeyCEXGTXNIIFSPSF-UHFFFAOYSA-N
SMILESC(O)(=O)C1=CC=C([N+]([O-])=O)C=C1Br
Safety Information
Hazard Codes Xi
Hazard Note Irritant
HS Code 2916399090
MSDS Information
2-Bromo-4-nitrobenzoic acid Usage And Synthesis
Chemical PropertiesLight Brown Solid
Synthesis
2-Bromo-4-nitrotoluene

7745-93-9

2-BROMO-4-NITROBENZOIC ACID

16426-64-5

(a) Synthesis of 2-bromo-4-nitrobenzoic acid: 40 mL of water was added to 20 mL of pyridine solution containing 2-bromo-4-nitrotoluene (4.41 g, 20.0 mmol), and the mixture was heated to 70°C. Potassium permanganate (19.0 g, 120 mmol) was added batchwise over a 40-minute period, and the reaction mixture was subsequently refluxed for 8 hours. After completion of the reaction, the resulting suspension was thermally filtered. The filtrate was acidified with 6N hydrochloric acid to pH<2 under ice bath cooling, precipitated as a solid and filtered to give crude 2-bromo-4-nitrobenzoic acid (1.63 g). The filtrates were combined, the pH was adjusted to acidic with 6N hydrochloric acid and extracted with ethyl acetate and chloroform sequentially. The organic phases were combined, dried over anhydrous magnesium sulfate and filtered, and the filtrate was concentrated under reduced pressure to give the second batch of product (1.61 g). The total mass of the two batches of product was 3.24 g and the yield was 66%.

References[1] Bioorganic and Medicinal Chemistry, 1999, vol. 7, # 12, p. 3011 - 3024
[2] Organic and Biomolecular Chemistry, 2006, vol. 4, # 3, p. 482 - 492
[3] Angewandte Chemie - International Edition, 2008, vol. 47, # 17, p. 3184 - 3187
[4] Chinese Chemical Letters, 2011, vol. 22, # 12, p. 1411 - 1414
[5] European Journal of Medicinal Chemistry, 2014, vol. 81, p. 59 - 75
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