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CAS No.: | 176690-44-1 |
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Name: | 2-PYRIDIN-3-YL-BENZALDEHYDE |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C12H9NO |
Molecular Weight: | 183.21 |
Synonyms: | 2-(3-Pyridinyl)benzaldehyde;2-(3-Pyridyl)benzaldehyde;2-pyridin-3-ylbenzaldehyde;benzaldehyde, 2-(3-pyridinyl)-; |
Density: | 1.147 g/cm3 |
Melting Point: | 83℃ |
Boiling Point: | 356.8 °C at 760 mmHg |
Flash Point: | 177.4 °C |
Hazard Symbols: | Xn |
Risk Codes: | Harmful:; "> Harmful:; |
Safety: | 22-26-36/37/39-39 |
PSA: | 29.96000 |
LogP: | 2.56110 |
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The Benzaldehyde,2-(3-pyridinyl)-, with the CAS registry number 176690-44-1, has the systematic name and IUPAC name of 2-pyridin-3-ylbenzaldehyde. It is a kind of harmful chemical, and the molecular formula of the chemical is C12H9NO.
The characteristics of Benzaldehyde,2-(3-pyridinyl)- are as followings: (1)ACD/LogP: 1.78; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 29.96 Å2; (7)Index of Refraction: 1.614; (8)Molar Refractivity: 55.68 cm3; (9)Molar Volume: 159.6 cm3; (10)Polarizability: 22.07×10-24cm3; (11)Surface Tension: 47.8 dyne/cm; (12)Density: 1.147 g/cm3; (13)Flash Point: 177.4 °C; (14)Enthalpy of Vaporization: 60.21 kJ/mol; (15)Boiling Point: 356.8 °C at 760 mmHg; (16)Vapour Pressure: 2.85E-05 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=Cc1ccccc1c2cccnc2
(2)InChI: InChI=1/C12H9NO/c14-9-11-4-1-2-6-12(11)10-5-3-7-13-8-10/h1-9H
(3)InChIKey: DTUANRRVVJRTJS-UHFFFAOYAI