5-Bromo-2-chloronicotinic acid
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5-Bromo-2-chloronicotinic acid
structure -
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CAS No:
29241-65-4
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Formula:
C6H3BrClNO2
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Chemical Name:
5-Bromo-2-chloronicotinic acid
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Synonyms:
5-BROMO-2-CHLORONICOTINIC ACID;5-BROMO-2-CHLOROPYRIDINE-3-CARBOXYLIC ACID;5-BROMO-2-CHLORO-3-PYRIDINECARBOXYLIC ACID;5-Bromo-2-chloronicotinicacid5-Bromo-2-chloronicotinicacid;5-Bromo-2-Chloronicotinic;5-Bromo-2-chloronicotinic acid 97%;5-Bromo-2-chloronicotinic acid ,97%;5-Bromo-2-chloropyridine-3-carboxylic acid, 5-Bromo-3-carboxy-2-chloropyridine
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CAS No:
Characteristics
50.2
2
Solid
1.9±0.1 g/cm3
173-176°C
345.1°C at 760 mmHg
162.5±27.9 °C
1.630
Keep Cold
2.39E-05mmHg at 25°C
Safety Information
IRRITANT, KEEP COLD
36/37/38-22
26-36/37/39
Xi,Xn
Irritant/Keep Cold
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501
H302
|Warning|H302 (92.86%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 42 companies from 4 notifications to the ECHA C&L Inventory.
5-Bromo-2-chloronicotinic acid Use and Manufacturing
Step B. 5-Bromo-2-chloropyridine-3 -carboxylic acidTo 5-bromo-2-hydroxypyridine-3-carboxylic acid (Intermediate 10, 14 g, 64.2 mmol) was added thionyl chloride (70 mL) and dimethylformamide (8 mL). The reaction mixture was heated to reflux for 3 h. After cooling, the excess thionyl chloride was removed by rotary evaporation and the residue was poured into water (1 L) and extracted with ethyl acetate (3 x 100 mL). The organic layer was dried over anhydrous sodium sulphate then filtered and concentrated to afford 7.0 g (47percent) of 5 -bromo-2-chloropyridine-3 -carboxylic acid. 1H NMR (400 MHz. DMSO-AO: δ 8.44 (s, IH), 8.72 (s, IH). Mass (APCI -ve Scan): m/z 235.9 (M-H).
Computed Properties
Molecular Weight:236.45
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:234.90357
Monoisotopic Mass:234.90357
Topological Polar Surface Area:50.2
Heavy Atom Count:11
Complexity:167
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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