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Basic Information
CAS No.: 31462-59-6
Name: 4-Pyrimidinecarboxylic acid
Article Data: 20
Molecular Structure:
Molecular Structure of 31462-59-6 (4-Pyrimidinecarboxylic acid)
Formula: C5H4N2O2
Molecular Weight: 124.099
Synonyms: Pyrimidine-4-carboxylic acid;
EINECS: 250-641-7
Density: 1.403 g/cm3
Melting Point: 229.8-231.9 °C
Boiling Point: 318.7 °C at 760 mmHg
Flash Point: 146.5 °C
Appearance: white solid
Hazard Symbols: IrritantXi,HarmfulXn
Risk Codes: 36
Safety: 26
PSA: 63.08000
LogP: 0.17480
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Chemistry

Empirical Formula: C5H4N2O2
Molecular Weight: 124.0975 
EINECS: 250-641-7
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
Enthalpy of Vaporization: 59.14 kJ/mol
Boiling Point: 318.7 °C at 760 mmHg
Vapour Pressure: 0.000148 mmHg at 25 °C
Melting point: 229.8-231.9 °C
Appearance: White solid
Structure of 4-Pyrimidinecarboxylic acid (CAS NO.31462-59-6):
                          
IUPAC Name: Pyrimidine-4-carboxylic acid
Canonical SMILES: C1=CN=CN=C1C(=O)O
InChI: InChI=1S/C5H4N2O2/c8-5(9)4-1-2-6-3-7-4/h1-3H,(H,8,9)
InChIKey: YPOXGDJGKBXRFP-UHFFFAOYSA-N
Product Category of 4-Pyrimidinecarboxylic acid (CAS NO.31462-59-6): Pyrimidine series;pharmacetical;Carboxylic Acids;Pyrazines, Pyrimidines & Pyridazines;Carboxy;Carboxylic Acids

Safety Profile

Hazard Codes of 4-Pyrimidinecarboxylic acid (CAS NO.31462-59-6): IrritantXi,HarmfulXn
Hazard Note: Irritant

Specification

 4-Pyrimidinecarboxylic acid , its cas register number is 31462-59-6. It also can be called Pyrimidine-4-carboxylic acid .