2,3-Pyrazinedicarboxylic acid
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2,3-Pyrazinedicarboxylic acid
structure -
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CAS No:
89-01-0
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Formula:
C6H4N2O4
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Chemical Name:
2,3-Pyrazinedicarboxylic acid
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Synonyms:
2,3-Pyrazinedicarboxylic acid;2,3-Dicarboxypyrazine;NSC 1908
- Categories:
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CAS No:
2,3-Pyrazinedicarboxylic acid Basic Attributes
168.11
168.11
147982
201-875-3
QNN35WOF29
1908
DTXSID70237467
2933990090
Characteristics
100
-0.12700
Whitish Powder
1.7±0.1 g/cm3
193 °C (decomp)
449.1°C at 760 mmHg
225.4±28.7 °C
1.638
soluble
Store below +30°C.
Safety Information
3
36/37/38-34-11
22-24/25-45-36/37/39-26-16
UQ2500000
F,C
|Danger|H315 (62.5%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 16 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2,3-Pyrazinedicarboxylic acid Use and Manufacturing
It is derived from benzopyrazine as raw material by oxidation of potassium permanganate. First put water and benzopyrazine into the reaction pot, add potassium permanganate uniformly with stirring, keep the temperature at 68-70℃ for 2h, and measure the end point. Let stand overnight, absorb the supernatant liquid, add water to the lower layer and stir, heat to 80°C and filter. Concentrate the supernatant and filtrate with a thin film evaporator, then take it out and neutralize it with hydrochloric acid to pH=2, and precipitate monopotassium pyrazine dicarboxylate Salt, cool, and filter at 25°C. The filter cake was added to hydrochloric acid, stirred and heated to complete dissolution, cooled and crystallized below 15°C, filtered by shaking, washed with a little ethanol, and dried to obtain crystals. Based on benzopyrazine, the yield is 70%.
Used as an intermediate for the synthesis of pyrazinamide. This product is an intermediate for the anti-tuberculosis drug pyrazinamide.
Computed Properties
Molecular Weight:168.11
XLogP3:-0.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:168.01710661
Monoisotopic Mass:168.01710661
Topological Polar Surface Area:100
Heavy Atom Count:12
Complexity:184
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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