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Cas Database |
| Name |
5-Bromo-2-chloronicotinic acid |
EINECS | N/A |
| CAS No. | 29241-65-4 | Density | 1.917 g/cm3 |
| PSA | 50.19000 | LogP | 2.19570 |
| Solubility | N/A | Melting Point |
173-176 °C |
| Formula | C6H3BrClNO2 | Boiling Point | 345.1 °C at 760 mmHg |
| Molecular Weight | 236.452 | Flash Point | 162.5 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 26-36/37/39 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
Nicotinicacid, 5-bromo-2-chloro- (8CI);2-Chloro-5-bromonicotinic acid; |
Article Data | 13 |
5-Bromo-2-chloronicotinic acid Synthetic route
- 104612-36-4
5-bromo-2-hydroxynicotinic acid
- 29241-65-4
5-bromo-2-chloronicotinic acid
| Conditions | Yield |
|---|---|
| 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% |
- 609-71-2
2-hydroxy-3-carboxypyridine
- 29241-65-4
5-bromo-2-chloronicotinic acid
| Conditions | Yield |
|---|---|
| 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 |
- 2942-59-8
2-chloronicotinic acid
- 29241-65-4
5-bromo-2-chloronicotinic acid
| Conditions | Yield |
|---|---|
| With bromine In acetic acid |
| Conditions | Yield |
|---|---|
| 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% |
- 29241-65-4
5-bromo-2-chloronicotinic acid
- 75-65-0
tert-butyl alcohol
| Conditions | Yield |
|---|---|
| With sulfuric acid; magnesium sulfate In dichloromethane at 25℃; for 16h; | 94% |
- 46049-49-4
(S)-(2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methanamine
- 29241-65-4
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 |
- 29241-65-4
5-bromo-2-chloronicotinic acid
- 1117-97-1
N,0-dimethylhydroxylamine
- 885223-63-2
5-bromo-2-chloro-N-methoxy-N-methylnicotinamide
| Conditions | Yield |
|---|---|
| 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% |
- 811-98-3
d(4)-methanol
- 29241-65-4
5-bromo-2-chloronicotinic acid
| Conditions | Yield |
|---|---|
| With sulfuric acid In water at 60℃; for 48h; | 90% |
- 29241-65-4
5-bromo-2-chloronicotinic acid
- 150-76-5
4-methoxy-phenol
- 1215864-79-1
5-bromo-2-(4-methoxyphenoxy)nicotinic acid
| Conditions | Yield |
|---|---|
| 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 |
|---|---|
| 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% |
5-Bromo-2-chloronicotinic acid Chemical Properties
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
5-Bromo-2-chloronicotinic acid Safety Profile
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 Specification
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- .
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