Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
5-Phenyl-1h-pyrazole-3-carbaldehyde |
EINECS | N/A |
CAS No. | 57204-65-6 | Density | 1.248g/cm3 |
PSA | 45.75000 | LogP | 1.88920 |
Solubility | N/A | Melting Point |
N/A |
Formula | C10H8N2O | Boiling Point | 420.4 °C at 760 mmHg |
Molecular Weight | 172.186 | Flash Point | 209.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
5-PHENYL-1H-PYRAZOLE-3-CARBALDEHYDE |
Article Data | 4 |
The 5-Phenyl-1h-pyrazole-3-carbaldehyde, with CAS registry number 57204-65-6, has the systematic name of 3-phenyl-1H-pyrazole-5-carbaldehyde. Besides this, it is also called 5-phenyl-1(2)H-pyrazole-3-carbaldehyde. And the chemical formula of this chemical is C10H8N2O.
Physical properties of 5-Phenyl-1h-pyrazole-3-carbaldehyde: (1)ACD/LogP: 1.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.78; (4)ACD/LogD (pH 7.4): 1.78; (5)ACD/BCF (pH 5.5): 13.18; (6)ACD/BCF (pH 7.4): 13.18; (7)ACD/KOC (pH 5.5): 220.46; (8)ACD/KOC (pH 7.4): 220.35; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 34.89 Å2; (13)Index of Refraction: 1.646; (14)Molar Refractivity: 50.12 cm3; (15)Molar Volume: 137.9 cm3; (16)Polarizability: 19.86×10-24cm3; (17)Surface Tension: 57.2 dyne/cm; (18)Density: 1.248 g/cm3; (19)Flash Point: 209.6 °C; (20)Enthalpy of Vaporization: 67.43 kJ/mol; (21)Boiling Point: 420.4 °C at 760 mmHg; (22)Vapour Pressure: 2.82E-07 mmHg at 25°C.
Preparation: this chemical can be prepared by (5-phenyl-1(2)H-pyrazol-3-yl)-methanol. This reaction will need reagent MnO2 and solvent acetone. The reaction time is 1.5 hour(s). The yield is about 90%.
You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1cc(nn1)c2ccccc2
(2)InChI: InChI=1/C10H8N2O/c13-7-9-6-10(12-11-9)8-4-2-1-3-5-8/h1-7H,(H,11,12)
(3)InChIKey: AWABRMSZZMDOEI-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C10H8N2O/c13-7-9-6-10(12-11-9)8-4-2-1-3-5-8/h1-7H,(H,11,12)
(5)Std. InChIKey: AWABRMSZZMDOEI-UHFFFAOYSA-N