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Cas Database |
| Name |
Ethanone,1-(1-phenyl-1H-pyrazol-4-yl)- |
EINECS | N/A |
| CAS No. | 3968-40-9 | Density | 1.13 g/cm3 |
| PSA | 34.89000 | LogP | 2.07490 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C11H10N2O | Boiling Point | 316 °C at 760 mmHg |
| Molecular Weight | 186.213 | Flash Point | 144.9 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
Ketone,methyl 1-phenylpyrazol-4-yl (6CI,7CI,8CI);4-Acetyl-1-phenylpyrazole; |
Article Data | 3 |
Ethanone,1-(1-phenyl-1H-pyrazol-4-yl)- Specification
The CAS register number of Ethanone,1-(1-phenyl-1H-pyrazol-4-yl)- is 3968-40-9. It also can be called as 4-Acetyl-1-phenyl-1H-pyrazole and the systematic name about this chemical is 1-(1-phenyl-1H-pyrazol-4-yl)ethanone. The molecular formula about this chemical is C11H10N2O and the molecular weight is 186.2099.
Physical properties about Ethanone,1-(1-phenyl-1H-pyrazol-4-yl)- are: (1)ACD/LogP: 1.56; (2)#H bond acceptors: 3; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 34.89Å2; (5)Index of Refraction: 1.593; (6)Molar Refractivity: 55.81 cm3; (7)Molar Volume: 164.5 cm3; (8)Polarizability: 22.12x10-24cm3; (9)Surface Tension: 43 dyne/cm; (10)Flash Point: 144.9 °C; (11)Enthalpy of Vaporization: 55.73 kJ/mol; (12)Boiling Point: 316 °C at 760 mmHg; (13)Vapour Pressure: 0.000422 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1cn(nc1)c2ccccc2)C
(2)InChI: InChI=1/C11H10N2O/c1-9(14)10-7-12-13(8-10)11-5-3-2-4-6-11/h2-8H,1H3
(3)InChIKey: ZZLLGMSBHKIMHK-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C11H10N2O/c1-9(14)10-7-12-13(8-10)11-5-3-2-4-6-11/h2-8H,1H3
(5)Std. InChIKey: ZZLLGMSBHKIMHK-UHFFFAOYSA-N
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