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Basic Information
CAS No.: 10070-92-5
Name: Pyrimidine-5-carboxaldehyde
Molecular Structure:
Molecular Structure of 10070-92-5 (Pyrimidine-5-carboxaldehyde)
Formula: C5H4N2O
Molecular Weight: 108.1
Synonyms: 5-Formylpyrimidine;5-Pyrimidinecarboxaldehyde;
Density: 1.234 g/cm3
Melting Point: 39-43 °C
Boiling Point: 225.3 °C at 760 mmHg
Flash Point: 92.6 °C
Hazard Symbols: IrritantXi,HarmfulXn
Risk Codes: 36/37/38
Safety: 26-36/37/39
PSA: 42.85000
LogP: 0.28910
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Chemistry

Systematic Name: Pyrimidine-5-carbaldehyde
Synonyms of  Pyrimidine-5-carboxaldehyde (CAS NO.10070-92-5): 5-Pyrimidinecarboxaldehyde ; Pyrimidine-5-carboxyaldehyde
CAS NO: 10070-92-5
Molecular Formula: C5H4N2O
Molecular Weight: 108.10
Molecular Structure:
H bond acceptors: 3
H bond donors: 0
Freely Rotating Bonds: 1
Polar Surface Area: 42.85 Å2
Index of Refraction: 1.581
Molar Refractivity: 29.18 cm3
Molar Volume: 87.5 cm3
Surface Tension: 57 dyne/cm
Density: 1.234 g/cm3
Flash Point: 92.6 °C
Enthalpy of Vaporization: 46.18 kJ/mol
Boiling Point: 225.3 °C at 760 mmHg
Vapour Pressure: 0.0869 mmHg at 25 °C
Melting Point: 39-43 °C
SMILES: O=Cc1cncnc1
InChI: InChI=1/C5H4N2O/c8-3-5-1-6-4-7-2-5/h1-4H
InChIKey: FREJAOSUHFGDBW-UHFFFAOYAG
Std. InChI: InChI=1S/C5H4N2O/c8-3-5-1-6-4-7-2-5/h1-4H
Std. InChIKey: FREJAOSUHFGDBW-UHFFFAOYSA-N
Product Categories of  Pyrimidine-5-carboxaldehyde (CAS NO.10070-92-5): PYRIMIDINE; Aldehyde;Building Blocks; Pyrimidines; Boronic Acid; Heterocyclic Compounds

Safety Profile

Hazard Codes: IrritantXi,HarmfulXn
Risk Statements: 36/37/38
R36/37/38: Pyrimidine-5-carboxaldehyde (CAS NO.10070-92-5) is irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39
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
HazardClass: IRRITANT