-
Name
5-Pyrimidinecarboxylic acid
- EINECS 224-994-2
- CAS No. 4595-61-3
- Article Data12
- CAS DataBase
- Density 1.403 g/cm3
- Solubility
- Melting Point 259 °C
- Formula C5H4N2O2
- Boiling Point 318.7 °C at 760 mmHg
- Molecular Weight 124.099
- Flash Point 146.5 °C
- Transport Information
- Appearance
- Safety 22-26-36/37/39
- Risk Codes 36/37/38
-
Molecular Structure
-
Hazard Symbols
Xi
- Synonyms Pyrimidine-5-carboxylic acid;5-Carboxypyrimidine;
- PSA 63.08000
- LogP 0.17480
5-Pyrimidinecarboxylic acid Chemical Properties
Empirical Formula: C5H4N2O2
Molecular Weight: 124.0975
Nominal Mass: 124 Da
Average Mass: 124.0975 Da
Monoisotopic Mass: 124.027277 Da
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: 146.5 °C
Melting point: 259 °C
Enthalpy of Vaporization: 59.14 kJ/mol
Boiling Point: 318.7 °C at 760 mmHg
Vapour Pressure: 0.000148 mmHg at 25 °C
Structure of 5-Pyrimidinecarboxylic acid (CAS NO.4595-61-3):
IUPAC Name: Pyrimidine-5-carboxylic acid
Canonical SMILES: C1=C(C=NC=N1)C(=O)O
InChI: InChI=1S/C5H4N2O2/c8-5(9)4-1-6-3-7-2-4/h1-3H,(H,8,9)
InChIKey: IIVUJUOJERNGQX-UHFFFAOYSA-N
Product Category of 5-Pyrimidinecarboxylic acid (CAS NO.4595-61-3): Pyrimidine;Pharmacetical;Building Blocks
5-Pyrimidinecarboxylic acid Safety Profile
Hazard Codes of 5-Pyrimidinecarboxylic acid (CAS NO.4595-61-3): 
Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 22-26-36/37/39
S22:Do not breathe dust.
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.
Hazard Note: Irritant
5-Pyrimidinecarboxylic acid Specification
5-Pyrimidinecarboxylic acid , its cas register number is 4595-61-3. It also can be called Pyrimidine-5-carboxylic acid ; and MolPort-000-006-276 .
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