2-Bromo-3-nitrobenzoic acid
Based on 1 Customer Validation
2-Bromo-3-nitrobenzoic acid is a brominated nitrobenzoic acid and also a starting material for the synthesis of 3-substituted-5-nitroisocoumarins. 3-Substituted-5-nitroisocoumarins are key intermediates of PARP inhibitor analogs. 2-Bromo-3-nitrobenzoic acid serves as an easily accessible precursor for the synthesis of 7-nitrobenzo[b]thiophene and 7-nitro-1,2-benzisothiazole derivatives.
For research use only. We do not sell to patients.
- Purity : 98.81%
- CAS No.: 573-54-6
- Formula: C7H4BrNO4
- Molecular Weight:246.02
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Storage:Powder -20°C, 3 years , 4°C, 2 years ; In solvent -80°C, 6 months , -20°C, 1 month
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Biological Activity
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Chemical Information
- Purity & Documentation
- References
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Help & FAQs
Biological Activity
Description
In Vitro
2-Bromo-3-nitrobenzoic acid (molar ratios relative to β-diketones; 16 h) reacts with symmetrical β-diketones under copper powder/potassium tert-butoxide/tert-butanol reflux conditions to produce 3-substituted 5-nitroisocoumarins in 23-78% yield, with higher yields observed compared to reactions with unsymmetrical β-diketones[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
Chemical Information
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CAS No. 573-54-6
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Appearance Solid
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Molecular Weight 246.02
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Formula C7H4BrNO4
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Color Off-white to light yellow
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SMILES
O=C(O)C1=CC=CC([N+]([O-])=O)=C1Br
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Shipping
Room temperature in continental US; may vary elsewhere.
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Storage
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
Purity & Documentation
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Data Sheet (286 KB)
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SDS (393 KB)
- English - EN (393 KB)
- Français - FR (393 KB)
- Deutsch - DE (393 KB)
- Norwegian - NO (393 KB)
- Español - ES (393 KB)
- Swedish - SV (393 KB)
- Italian - IT (393 KB)
- Korean - KR (393 KB)
- Portuguese - PT (393 KB)
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Handling Instructions (2659 KB)
References
Calculators
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)
2-Bromo-3-nitrobenzoic acid Related Classifications
HY-W002315 Related Classifications
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Keywords
- 2-Bromo-3-nitrobenzoic acid
- 573-54-6
- Drug Intermediate
- PARP inhibitor analogues
- potassium tert-butoxide
- symmetrical β-diketones
- 7-nitrobenzo[b]thiophene
- 3-nitrobenzene-1,2-dioic acid
- 3-substituted 5-nitroisocoumarins
- copper powder
- tert-butanol
- 7-nitro-1,2-benzisothiazole derivatives
- unsymmetrical β-diketones
- Inhibitor
- inhibitor
- inhibit