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| CAS No.: | 179055-28-8 |
|---|---|
| Name: | 4-(1-METHYL-1H-PYRAZOL-5-YL)BENZALDEHYDE |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C11H10N2O |
| Molecular Weight: | 186.2099 |
| Synonyms: | 4-(1-Methyl-1H-pyrazol-5-yl)benzaldehyde; |
| Density: | 1.132 g/cm3 |
| Boiling Point: | 350.215 °C at 760 mmHg |
| Flash Point: | 165.604 °C |
| PSA: | 34.89000 |
| LogP: | 1.89960 |
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Specification
The Benzaldehyde,4-(1-methyl-1H-pyrazol-5-yl)-, with the CAS registry number 179055-28-8, is also known as 4-(1-Methyl-1H-pyrazol-5-yl)benzaldehyde. This chemical's molecular formula is C11H10N2O and molecular weight is 186.2099. What's more, its IUPAC name is 4-(2-Methylpyrazol-3-yl)benzaldehyde.
Physical properties about Benzaldehyde,4-(1-methyl-1H-pyrazol-5-yl)- are: (1) ACD/LogP: 2.18; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 2; (4) ACD/LogD (pH 7.4): 2; (5) ACD/BCF (pH 5.5): 13; (6) ACD/BCF (pH 7.4): 13; (7) ACD/KOC (pH 5.5): 220; (8) ACD/KOC (pH 7.4): 220; (9) #H bond acceptors: 3; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 2; (12) Polar Surface Area: 34.89 Å2; (13) Index of Refraction: 1.594; (14) Molar Refractivity: 55.817 cm3; (15) Molar Volume: 164.533 cm3; (16) Polarizability: 22.127×10-24 cm3; (17) Surface Tension: 43.068 dyne/cm; (18) Density: 1.132 g/cm3; (19) Flash Point: 165.604 °C; (20) Enthalpy of Vaporization: 59.479 kJ/mol; (21) Boiling Point: 350.215 °C at 760 mmHg; (22) Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=Cc2ccc(c1ccnn1C)cc2
(2) InChI: InChI=1/C11H10N2O/c1-13-11(6-7-12-13)10-4-2-9(8-14)3-5-10/h2-8H,1H3
(3) InChIKey: NDNVJHWXCUOBSL-UHFFFAOYAI