Basic Information | Post buying leads | Suppliers |
Name |
5-Iodo-1H-pyrimidin-4-one |
EINECS | N/A |
CAS No. | 4349-07-9 | Density | 2.403 g/cm3 |
PSA | 46.01000 | LogP | 0.78680 |
Solubility | Soluble in water (67 g/L) (25°C). | Melting Point |
254-265℃ |
Formula | C4H3IN2O | Boiling Point | 229.2 °C at 760 mmHg |
Molecular Weight | 221.985 | Flash Point | 92.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
5-iodo-1H-pyrimidin-6-one |
The 5-Iodo-1H-pyrimidin-4-one, with CAS registry number 4349-07-9, has the systematic name of 5-iodopyrimidin-4(3H)-one. Besides this, it is also called 4(1H)-pyrimidinone, 5-iodo-. And the chemical formula of this chemical is C4H3IN2O.
Physical properties of 5-Iodo-1H-pyrimidin-4-one: (1)ACD/LogP: -0.80; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 12; (6)ACD/KOC (pH 7.4): 7; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 0; (10)Polar Surface Area: 41.46 Å2; (11)Index of Refraction: 1.761; (12)Molar Refractivity: 38.038 cm3; (13)Molar Volume: 92.371 cm3; (14)Polarizability: 15.08×10-24cm3; (15)Surface Tension: 64.635 dyne/cm; (16)Density: 2.403 g/cm3; (17)Flash Point: 92.4 °C; (18)Enthalpy of Vaporization: 48.47 kJ/mol; (19)Boiling Point: 229.2 °C at 760 mmHg; (20)Vapour Pressure: 0.0468 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: I\C1=C\N=C/NC1=O
(2)InChI: InChI=1/C4H3IN2O/c5-3-1-6-2-7-4(3)8/h1-2H,(H,6,7,8)
(3)InChIKey: SMIGOGPUTQXOKF-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C4H3IN2O/c5-3-1-6-2-7-4(3)8/h1-2H,(H,6,7,8)
(5)Std. InChIKey: SMIGOGPUTQXOKF-UHFFFAOYSA-N