Basic information
- Name:
2-Pyrazinecarboxylic acid
- CAS No.:
98-97-5
- Molecular Structure:
- Formula:
- C5H4N2O2
- Molecular Weight:
- 124.10
- 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 Description:
- 22-24/25-45-36/37/39-26-16 Details
- particular:
- particular
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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.
