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Basic Information
CAS No.: 4595-61-3
Name: 5-Pyrimidinecarboxylic acid
Article Data: 12
Molecular Structure:
Molecular Structure of 4595-61-3 (5-Pyrimidinecarboxylic acid)
Formula: C5H4N2O2
Molecular Weight: 124.099
Synonyms: Pyrimidine-5-carboxylic acid;5-Carboxypyrimidine;
EINECS: 224-994-2
Density: 1.403 g/cm3
Melting Point: 259 °C
Boiling Point: 318.7 °C at 760 mmHg
Flash Point: 146.5 °C
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 22-26-36/37/39
PSA: 63.08000
LogP: 0.17480
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Chemistry

 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

Safety Profile

Hazard Codes of 5-Pyrimidinecarboxylic acid (CAS NO.4595-61-3): IrritantXi
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

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 .