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Cas Database |
| Name |
5-Cyanouracil |
EINECS | N/A |
| CAS No. | 4425-56-3 | Density | 1.708 g/cm3 |
| PSA | 89.51000 | LogP | -1.06512 |
| Solubility | N/A | Melting Point |
295 °C (decomp) |
| Formula | C5H3N3O2 | Boiling Point | 524.836 °C at 760 mmHg |
| Molecular Weight | 137.098 | Flash Point | 271.211 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | R20/22 | |
| Molecular Structure |
|
Hazard Symbols | Xi |
| Synonyms |
2,4(1H,3H)-Pyrimidinedione,5-cyano-;NSC 44192;NSC 667760;Uracil-5-carbonitrile;5-Cyanouracil; |
Article Data | 17 |
5-Cyanouracil Chemical Properties
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
5-Cyanouracil Safety Profile
Hazard Codes: 
Xi
Hazard Note: Irritant
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