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Basic Information
CAS No.: 4425-56-3
Name: 5-Cyanouracil
Article Data: 17
Molecular Structure:
Molecular Structure of 4425-56-3 (5-Cyanouracil)
Formula: C5H3N3O2
Molecular Weight: 137.098
Synonyms: 2,4(1H,3H)-Pyrimidinedione,5-cyano-;NSC 44192;NSC 667760;Uracil-5-carbonitrile;5-Cyanouracil;
Density: 1.708 g/cm3
Melting Point: 295 °C (decomp)
Boiling Point: 524.836 °C at 760 mmHg
Flash Point: 271.211 °C
Hazard Symbols: Xi
Risk Codes: R20/22
PSA: 89.51000
LogP: -1.06512
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Chemistry

IUPAC Name: 2,4-Dioxo-1H-pyrimidine-5-carbonitrile
Synonyms of 5-Cyanouracil (CAS NO.4425-56-3): 5-Pyrimidinecarbonitrile,1,2,3,4-tetrahydro-2,4-dioxo- ; 2,4-Dihydroxy-5-pyrimidinecarbonitrile ; 2,4-Dioxo-1H-pyrimidine-5-carbonitrile
CAS NO: 4425-56-3
Molecular Formula: C5H3N3O2
Molecular Weight: 137.10
Molecular Structure:
H bond acceptors: 5
H bond donors: 2
Freely Rotating Bonds: 0
Polar Surface Area: 64.41 Å2
Index of Refraction: 1.59
Molar Refractivity: 30.3 cm3
Molar Volume: 89.7 cm3
Surface Tension: 71.1 dyne/cm
Density: 1.52 g/cm3
Flash Point: 271.2 °C
Enthalpy of Vaporization: 82.89 kJ/mol
Boiling Point: 524.8 °C at 760 mmHg
Vapour Pressure: 1.24E-11 mmHg at 25°C
SMILES: O=C1C(\C#N)=C/NC(=O)N1
InChI: InChI=1/C5H3N3O2/c6-1-3-2-7-5(10)8-4(3)9/h2H,(H2,7,8,9,10)
InChIKey: HAUXRJCZDHHADG-UHFFFAOYAY
Std. InChI: InChI=1S/C5H3N3O2/c6-1-3-2-7-5(10)8-4(3)9/h2H,(H2,7,8,9,10) 
Std. InChIKey: HAUXRJCZDHHADG-UHFFFAOYSA-N
Product Categories of 5-Cyanouracil (CAS NO.4425-56-3): PYRIMIDINE;Pyrazines, Pyrimidines & Pyridazines;Pyrazines, Pyrimidines & Pyridazines

Safety Profile

Hazard Codes: IrritantXi
Hazard Note: Irritant