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Cas Database |
| Name |
Pyrimidine-4-carboxaldehyde |
EINECS | N/A |
| CAS No. | 2435-50-9 | Density | 1.234 g/cm3 |
| PSA | 42.85000 | LogP | 0.28910 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C5H4N2O | Boiling Point | 225.3 °C at 760 mmHg |
| Molecular Weight | 108.1 | Flash Point | 92.6 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
4-Formylpyrimidine;4-Pyrimidinecarboxaldehyde; |
Article Data | 4 |
Pyrimidine-4-carboxaldehyde Chemical Properties
Molecule structure of Pyrimidine-4-carboxaldehyde (CAS NO.2435-50-9):
IUPAC Name: Pyrimidine-4-carbaldehyde
Molecular Weight: 108.09806 g/mol
Molecular Formula: C5H4N2O
Density: 1.234 g/cm3
Boiling Point: 225.3 °C at 760 mmHg
Flash Point: 92.6 °C
Index of Refraction: 1.581
Molar Refractivity: 29.18 cm3
Molar Volume: 87.5 cm3
Polarizability: 11.57×10-24 cm3
Surface Tension: 57 dyne/cm
Enthalpy of Vaporization: 46.18 kJ/mol
Vapour Pressure: 0.0869 mmHg at 25 °C
XLogP3: -0.7
H-Bond Acceptor: 3
Rotatable Bond Count: 1
Exact Mass: 108.032363
MonoIsotopic Mass: 108.032363
Topological Polar Surface Area: 42.8
Heavy Atom Count: 8
Complexity: 84.5
Canonical SMILES: C1=CN=CN=C1C=O
InChI: InChI=1S/C5H4N2O/c8-3-5-1-2-6-4-7-5/h1-4H
InChIKey: OKULHRWWYCFJAB-UHFFFAOYSA-N
Product Categories of Pyrimidine-4-carboxaldehyde (CAS NO.2435-50-9): PYRIMIDINE; Pyrimidine series; pharmacetical
Pyrimidine-4-carboxaldehyde Specification
Pyrimidine-4-carboxaldehyde (CAS NO.2435-50-9) is also named as Rarechem AK ML 0567 ; 4-Pyrimidinecarboxaldehyde .
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