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Name |
3-(2-Pyridinyl)benzaldehyde |
EINECS | N/A |
CAS No. | 85553-53-3 | Density | 1.147 g/cm3 |
PSA | 29.96000 | LogP | 2.56110 |
Solubility | N/A | Melting Point |
163℃ |
Formula | C12H9NO | Boiling Point | 345.5 °C at 760 mmHg |
Molecular Weight | 183.21 | Flash Point | 170.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26 | Risk Codes | 22-36 |
Molecular Structure | Hazard Symbols | Xn | |
Synonyms |
3-Pyridin-2-ylbenzaldehyde;3-(2-Pyridyl)benzaldehyde; |
Article Data | 21 |
The IUPAC name of 3-(2-Pyridinyl)benzaldehyde is 3-pyridin-2-ylbenzaldehyde. With the CAS registry number 85553-53-3, it is also named as 3-(2-Pyridyl)benzaldehyde. The product's category is Pharmaceutical Intermediates. In addition, its molecular formula is C12H9NO and its molecular weight is 183.21.
The other characteristics of 3-(2-Pyridinyl)benzaldehyde can be summarized as: (1)ACD/LogP: 2.33; (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: 170.7 °C; (14)Enthalpy of Vaporization: 58.96 kJ/mol; (15)Boiling Point: 345.5 °C at 760 mmHg; (16)Vapour Pressure: 6.13E-05 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: O=Cc2cc(c1ncccc1)ccc2
(2)InChI: InChI=1/C12H9NO/c14-9-10-4-3-5-11(8-10)12-6-1-2-7-13-12/h1-9H
(3)InChIKey: SAPNGHSAYQXRPG-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C12H9NO/c14-9-10-4-3-5-11(8-10)12-6-1-2-7-13-12/h1-9H
(5)Std. InChIKey: SAPNGHSAYQXRPG-UHFFFAOYSA-N