Basic Information | Post buying leads | Suppliers |
Name |
1H-Pyrazole-5-carboxaldehyde |
EINECS | N/A |
CAS No. | 948552-36-1 | Density | 1.323 g/cm3 |
PSA | 45.75000 | LogP | 0.22220 |
Solubility | N/A | Melting Point |
N/A |
Formula | C4H4N2O | Boiling Point | 299.984 °C at 760 mmHg |
Molecular Weight | 96.0874 | Flash Point | 139.672 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3-Pyrazolecarboxaldehyde; |
The 1H-Pyrazole-5-carboxaldehyde, with the CAS registry number 948552-36-1, is also known as 3-Pyrazolecarboxaldehyde. This chemical's molecular formula is C4H4N2O and molecular weight is 96.09. Its systematic name is called 1H-pyrazole-3-carbaldehyde.
Physical properties of 1H-Pyrazole-5-carboxaldehyde: (1)ACD/LogP: 0.28; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 17; (5)ACD/KOC (pH 7.4): 17; (6)#H bond acceptors: 3; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 1; (9)Index of Refraction: 1.62; (10)Molar Refractivity: 25.53 cm3; (11)Molar Volume: 72.646 cm3; (12)Surface Tension: 64.766 dyne/cm; (13)Density: 1.323 g/cm3; (14)Flash Point: 139.672 °C; (15)Enthalpy of Vaporization: 54.002 kJ/mol; (16)Boiling Point: 299.984 °C at 760 mmHg; (17)Vapour Pressure: 0.001 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1ccnn1
(2)InChI: InChI=1/C4H4N2O/c7-3-4-1-2-5-6-4/h1-3H,(H,5,6)
(3)InChIKey: ICFGFAUMBISMLR-UHFFFAOYAW