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| CAS No.: | 98-97-5 |
|---|---|
| Name: | 2-Pyrazinecarboxylic acid |
| Article Data: | 41 |
| Molecular Structure: | |
|
|
|
| Formula: | C5H4N2O2 |
| Molecular Weight: | 124.099 |
| Synonyms: | Piazinecarboxylic acid;pyrazine-2-carboxylate;Pyrazine-2-carboxylic acid;Pyrazinemonocarboxylic acid;2- Piperazine carboxylic;Pyrazinecarboxylic acid;Paradiazinecarboxylic acid;2-Pyrazinoic acid;Pyrazinoate;2-Pyrazine carboxylic acid;Pyrazinoic acid;Pyrazinic acid;Pyazine-2-carboxylic acid; |
| EINECS: | 202-718-1 |
| Density: | 1.403 g/cm3 |
| Melting Point: | 222-225 °C |
| Boiling Point: | 313.1 °C at 760 mmHg |
| Flash Point: | 143.1 °C |
| Solubility: | soluble in cold water |
| Appearance: | white to off-white crystalline powder |
| Hazard Symbols: |
 Xi, C, F
|
| Risk Codes: | 11-34 |
| Safety: | 22-24/25-45-36/37/39-26-16 |
| PSA: | 63.08000 |
| LogP: | 0.17480 |
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| Conditions | Yield |
|---|---|
| With sulfuric acid; acetic acid for 2h; Heating; | 85% |
| at 210℃; under 3 - 4 Torr; | |
| With water; toluene | |
| With nitrobenzene |
| Conditions | Yield |
|---|---|
| With 18-crown-6 ether; potassium tert-butylate; oxygen In 1,2-dimethoxyethane at 60℃; under 3800 Torr; for 24h; | 64% |
| In water Ambient temperature; electrochemical oxidation on activated nickel hydroxide anode; | 60% |
| With selenium(IV) oxide In acetic acid for 0.0833333h; Heating; microwave; | 50% |
- 123-32-0
2,5-dimethyl-pyrazine
A
- 98-97-5
2-pyrazylcarboxylic acid
B
- 5521-55-1
2-methylpyrazin-5-carboxylic acid
C
- 122-05-4
2,5-pyrazinedicarboxylic acid
| Conditions | Yield |
|---|---|
| With cobalt(II) nitrate In water Ambient temperature; electrochemical oxidation on activated nickel hydroxide anode; | A 2% B 42% C 3% |
| In water Ambient temperature; electrochemical oxidation on activated nickel hydroxide anode; | A 12% B 22% C 5% |
| With chromium(III) nitrate In diethyl ether Product distribution; Ambient temperature; electrochemical oxidation; var. additives, var. reaction time vs. conversion; |
- 13925-00-3
2-ethylpyrazine
- 98-97-5
2-pyrazylcarboxylic acid
| Conditions | Yield |
|---|---|
| With potassium permanganate | |
| With potassium permanganate In water at 20℃; |
- 13481-25-9
pyrazine-2,3-dicarbonitrile
- 98-97-5
2-pyrazylcarboxylic acid
| Conditions | Yield |
|---|---|
| With hydrogenchloride |
- 122-05-4
2,5-pyrazinedicarboxylic acid
A
- 290-37-9
1,4-pyrazine
B
- 98-97-5
2-pyrazylcarboxylic acid
C
- 15719-64-9, 15719-76-3, 97762-63-5
methylammonium carbonate
| Conditions | Yield |
|---|---|
| at 282℃; |
| Conditions | Yield |
|---|---|
| Destillation im Vakuum; | |
| bei der Destillation im Vakuum; |
| Conditions | Yield |
|---|---|
| rasche Destillation; |
| Conditions | Yield |
|---|---|
| With alkaline H2O In dimethyl sulfoxide at 30℃; Rate constant; other solvent (EtOH); variation of water concentrations; |
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Chemistry
IUPAC Name: Pyrazine-2-carboxylic acid
Synonyms of 2-Pyrazinecarboxylic acid (CAS NO.98-97-5): Pyrazinoic acid ; Pyrazine-2-carboxylic acid
CAS NO: 98-97-5
Molecular Formula: C5H4N2O2
Molecular Weight: 93.55
Molecular Structure: 
EINECS: 202-718-1
H bond acceptors: 4
H bond donors: 1
Freely Rotating Bonds: 1
Polar Surface Area: 52.08 Å2
Index of Refraction: 1.578
Molar Refractivity: 29.36 cm3
Molar Volume: 88.4 cm3
Surface Tension: 72.1 dyne/cm
Density: 1.403 g/cm3
Flash Point: 143.1 °C
Enthalpy of Vaporization: 58.5 kJ/mol
Boiling Point: 313.1 °C at 760 mmHg
Vapour Pressure: 0.000217 mmHg at 25°C
Melting point: 222-225 °C
Water solubility: soluble in cold water
Appearance: white to off-white crystalline powder
SMILES: O=C(O)c1nccnc1
InChI: InChI=1/C5H4N2O2/c8-5(9)4-3-6-1-2-7-4/h1-3H,(H,8,9)
InChIKey: NIPZZXUFJPQHNH-UHFFFAOYAS
Std. InChI: InChI=1S/C5H4N2O2/c8-5(9)4-3-6-1-2-7-4/h1-3H,(H,8,9)
Std. InChIKey: NIPZZXUFJPQHNH-UHFFFAOYSA-N
Product Categories of 2-Pyrazinecarboxylic acid (CAS NO.98-97-5): Fluorobenzene;Carboxylic Acids;Pyrazines, Pyrimidines & Pyridazines;Pyrazine;Organic acids;Pyrazinecarboxylic Acid & Derivatives;Pyrazines;Carboxylic Acids;Pyrazines, Pyrimidines & Pyridazines;Building Blocks;Heterocyclic Building Blocks
Safety Profile
Safety Information about 2-Pyrazinecarboxylic acid (CAS NO.98-97-5):
Hazard Codes: 
Xi,
C,
F
Risk Statements: 11-34
R11: Highly flammable.
R34: Causes burns.
Safety Statements: 22-24/25-45-36/37/39-26-16
S16: Keep away from sources of ignition.
S22: Do not breathe dust.
S24/25: Avoid contact with skin and eyes.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.
S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
WGK Germany: 3
HS Code: 29339990
Specification
General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media: In case of fire, use water, dry chemical, chemical foam, or alcohol-resistant foam.
Handling: Remove contaminated clothing and wash before reuse. Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation.
Storage: Store in a cool, dry place. Keep container closed when not in use.