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Cas Database |
| Name |
5-Isopropyl-1-phenyl-1H-pyrazole-4-carboxylic acid |
EINECS | N/A |
| CAS No. | 116344-18-4 | Density | 1.192g/cm3 |
| PSA | 55.12000 | LogP | 2.69390 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C13H14 N2 O2 | Boiling Point | 386.767°C at 760 mmHg |
| Molecular Weight | 230.26 | Flash Point | 187.71°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
5-Isopropyl-1-phenyl-1H-pyrazole-4-carboxylic acid |
Article Data | 2 |
5-Isopropyl-1-phenyl-1H-pyrazole-4-carboxylic acid Chemical Properties
Molecular structure of 5-Isopropyl-1-phenyl-1H-pyrazole-4-carboxylic acid (CAS NO.116344-18-4) is:
Product Name: 5-Isopropyl-1-phenyl-1H-pyrazole-4-carboxylic acid
CAS Registry Number: 116344-18-4
Systematic Name: 1-phenyl-5-(propan-2-yl)-1H-pyrazole-4-carboxylic acid
Molecular Formula: C13H14N2O2
Molecular Weight: 230.26
Index of Refraction: 1.596
Molar Refractivity: 65.701 cm3
Molar Volume: 193.21 cm3
Surface Tension: 43.737 dyne/cm
Density: 1.192 g/cm3
Flash Point: 187.71 °C
Enthalpy of Vaporization: 67.056 kJ/mol
Boiling Point: 386.767 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25 °C
SMILES: OC(=O)c2cnn(c1ccccc1)c2C(C)C
InChI: InChI=1/C13H14N2O2/c1-9(2)12-11(13(16)17)8-14-15(12)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,16,17)
InChIKey: MQUOHNQYSXJILW-UHFFFAOYAS
Std. InChI: InChI=1S/C13H14N2O2/c1-9(2)12-11(13(16)17)8-14-15(12)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,16,17)
Std. InChIKey: MQUOHNQYSXJILW-UHFFFAOYSA-N
5-Isopropyl-1-phenyl-1H-pyrazole-4-carboxylic acid Specification
5-Isopropyl-1-phenyl-1H-pyrazole-4-carboxylic acid , its cas register number is 116344-18-4. It also can be called 1H-Pyrazole-4-carboxylicacid, 5-(1-methylethyl)-1-phenyl- .
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