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CAS No.: | 29241-65-4 |
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Name: | 5-Bromo-2-chloronicotinic acid |
Article Data: | 13 |
Molecular Structure: | |
Formula: | C6H3BrClNO2 |
Molecular Weight: | 236.452 |
Synonyms: | Nicotinicacid, 5-bromo-2-chloro- (8CI);2-Chloro-5-bromonicotinic acid; |
Density: | 1.917 g/cm3 |
Melting Point: | 173-176 °C |
Boiling Point: | 345.1 °C at 760 mmHg |
Flash Point: | 162.5 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 50.19000 |
LogP: | 2.19570 |
5-bromo-2-hydroxynicotinic acid
5-bromo-2-chloronicotinic acid
Conditions | Yield |
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With thionyl chloride In N,N-dimethyl-formamide at 70℃; for 4h; | 99% |
Stage #1: 5-bromo-2-hydroxynicotinic acid With thionyl chloride In N,N-dimethyl-formamide at 70℃; for 4h; Stage #2: With water In N,N-dimethyl-formamide for 1h; | 99% |
With thionyl chloride; N,N-dimethyl-formamide | 85% |
2-hydroxy-3-carboxypyridine
5-bromo-2-chloronicotinic acid
Conditions | Yield |
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Multi-step reaction with 2 steps 1: 78 percent / Br2; aq. NaOH / 18 h / 0 - 50 °C 2: 99 percent / thionyl chloride / dimethylformamide / 4 h / 70 °C View Scheme | |
Multi-step reaction with 2 steps 1: 63.5 percent / aq. conc. NaOH, aq. NaOBr / 48 h / Ambient temperature 2: 37 percent / SOCl2 / dimethylformamide / 0.5 h / Heating View Scheme | |
Multi-step reaction with 2 steps 1: 71 percent / Br2, NaOH / H2O / 90 h / 50 °C 2: 82 percent / SO2Cl2 / dimethylformamide / 2 h / Heating View Scheme |
2-chloronicotinic acid
5-bromo-2-chloronicotinic acid
Conditions | Yield |
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With bromine In acetic acid |
Conditions | Yield |
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Stage #1: methanol; 5-bromo-2-chloronicotinic acid With sulfuric acid at 60℃; for 36h; Stage #2: With sodium hydrogencarbonate In water | 100% |
Stage #1: 5-bromo-2-chloronicotinic acid With thionyl chloride at 70℃; Stage #2: methanol In benzene at 65℃; | 95% |
With sulfuric acid for 15h; Reflux; | 89% |
5-bromo-2-chloronicotinic acid
tert-butyl alcohol
Conditions | Yield |
---|---|
With sulfuric acid; magnesium sulfate In dichloromethane at 25℃; for 16h; | 94% |
(S)-(2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methanamine
5-bromo-2-chloronicotinic acid
Conditions | Yield |
---|---|
With (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 0 - 20℃; for 1h; | 93% |
With (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide |
5-bromo-2-chloronicotinic acid
N,0-dimethylhydroxylamine
5-bromo-2-chloro-N-methoxy-N-methylnicotinamide
Conditions | Yield |
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Stage #1: 5-bromo-2-chloronicotinic acid With 1,1'-carbonyldiimidazole In dichloromethane at 20℃; for 1h; Stage #2: N,0-dimethylhydroxylamine In dichloromethane at 20℃; | 90% |
With 1,1'-carbonyldiimidazole In N,N-dimethyl-formamide at 30℃; for 0.5h; | 82% |
d(4)-methanol
5-bromo-2-chloronicotinic acid
Conditions | Yield |
---|---|
With sulfuric acid In water at 60℃; for 48h; | 90% |
5-bromo-2-chloronicotinic acid
4-methoxy-phenol
5-bromo-2-(4-methoxyphenoxy)nicotinic acid
Conditions | Yield |
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Stage #1: 4-methoxy-phenol With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0℃; for 0.233333h; Inert atmosphere; Stage #2: 5-bromo-2-chloronicotinic acid In N,N-dimethyl-formamide; mineral oil at 140℃; for 1h; Inert atmosphere; | 83% |
Stage #1: 4-methoxy-phenol With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0℃; for 0.1h; Stage #2: 5-bromo-2-chloronicotinic acid In N,N-dimethyl-formamide; mineral oil at 20 - 140℃; for 1.16667h; |
Conditions | Yield |
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Stage #1: 5-bromo-2-chloronicotinic acid With oxalyl dichloride; N,N-dimethyl-formamide In dichloromethane at 20℃; for 3h; Stage #2: ammonia In methanol at -10 - 20℃; for 18h; | 82% |
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IUPAC Name: 5-Bromo-2-chloropyridine-3-carboxylic acid
Molecular Formula: C6H3BrClNO2
Molecular Weight: 236.450520 g/mol
Melting Point: 173-176 °C
Density: 1.917 g/cm3
Flash Point: 162.5 °C
Storage temp.: Keep cold
Enthalpy of Vaporization: 62.18 kJ/mol
Boiling Point: 345.1 °C at 760 mmHg
Vapour Pressure: 2.39E-05 mmHg at 25 °C
Water Solubility: 699.3 mg/L at 25 °C
Structure of 5-Bromo-2-chloronicotinic acid (CAS NO.29241-65-4):
Categories of 5-Bromo-2-chloronicotinic acid (CAS NO.29241-65-4): Blocks;Bromides;Carboxes;Pyridines;Acids and Derivatives;Heterocycles;pharmacetical;Carboxylic Acids;Pyridine;Carboxylic Acids
Safety Information of 5-Bromo-2-chloronicotinic acid (CAS NO.29241-65-4):
Hazard Codes: Xi
Risk Statements: 36/37/38
36/37/38:Irritating to eyes, respiratory system and skin
Safety Statements: 26-36/37/39
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36/37/39:Wear suitable protective clothing, gloves and eye/face protection
Hazard Note: Irritant/Keep Cold
5-Bromo-2-chloronicotinic acid , its cas register number is 29241-65-4. It also can be called Acide 5-bromo-2-chloronicotinique ; 5-Bromo-2-chloropyridine-3-carboxylic acid ; and 3-Pyridinecarboxylic acid, 5-bromo-2-chloro- .