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Basic Information
CAS No.: 2435-50-9
Name: Pyrimidine-4-carboxaldehyde
Article Data: 4
Molecular Structure:
Molecular Structure of 2435-50-9 (Pyrimidine-4-carboxaldehyde)
Formula: C5H4N2O
Molecular Weight: 108.1
Synonyms: 4-Formylpyrimidine;4-Pyrimidinecarboxaldehyde;
Density: 1.234 g/cm3
Boiling Point: 225.3 °C at 760 mmHg
Flash Point: 92.6 °C
PSA: 42.85000
LogP: 0.28910
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Chemistry

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

Specification

 Pyrimidine-4-carboxaldehyde (CAS NO.2435-50-9) is also named as Rarechem AK ML 0567 ; 4-Pyrimidinecarboxaldehyde .