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| CAS No.: | 852227-92-0 |
|---|---|
| Name: | 3-(1H-PYRAZOL-1-YL)BENZALDEHYDE |
| Article Data: | 10 |
| Molecular Structure: | |
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| Formula: | C10H8N2O |
| Molecular Weight: | 172.186 |
| Synonyms: | 3-Pyrazol-1-yl-benzaldehyde; |
| Density: | 1.15 g/cm3 |
| Melting Point: | 38-39 °C |
| Boiling Point: | 315.5 °C at 760 mmHg |
| Flash Point: | 144.6 °C |
| Hazard Symbols: |
 Xi
|
| PSA: | 34.89000 |
| LogP: | 1.68480 |
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- Total:15 Page 1 of 1 1
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Specification
The Benzaldehyde,3-(1H-pyrazol-1-yl)-, with the CAS registry number 852227-92-0, is also known as 3-Pyrazol-1-yl-benzaldehyde. This chemical's molecular formula is C10H8N2O and molecular weight is 172.18. What's more, its systematic name is called 3-(1H-Pyrazol-1-yl)benzaldehyde. When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes.
Physical properties about Benzaldehyde,3-(1H-pyrazol-1-yl)- are: (1) ACD/LogP: 1.54; (2) # of Rule of 5 Violations: 0; (3) #H bond acceptors: 3; (4) #H bond donors: 0; (5) #Freely Rotating Bonds: 2; (6) Polar Surface Area: 34.89 Å2; (7) Index of Refraction: 1.604; (8) Molar Refractivity: 51.39 cm3; (9) Molar Volume: 149.2 cm3; (10) Surface Tension: 46.7 dyne/cm; (11) Density: 1.15 g/cm3; (12) Flash Point: 144.6 °C; (13) Enthalpy of Vaporization: 55.67 kJ/mol; (14) Boiling Point: 315.5 °C at 760 mmHg; (15) Vapour Pressure: 0.000436 mmHg at 25 °C; (16) Melting Point: 38-39 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=Cc1cccc(c1)n2nccc2
(2) InChI: InChI=1/C10H8N2O/c13-8-9-3-1-4-10(7-9)12-6-2-5-11-12/h1-8H
(3) InChIKey: NKFXXJOWQSOGOF-UHFFFAOYAD