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Name |
Benzaldehyde,2-(3-pyridinyl)- |
EINECS | N/A |
CAS No. | 176690-44-1 | Density | 1.147 g/cm3 |
PSA | 29.96000 | LogP | 2.56110 |
Solubility | N/A | Melting Point |
83℃ |
Formula | C12H9NO | Boiling Point | 356.8 °C at 760 mmHg |
Molecular Weight | 183.21 | Flash Point | 177.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 22-26-36/37/39-39 | Risk Codes |
Harmful:; |
Molecular Structure | Hazard Symbols | Xn | |
Synonyms |
2-(3-Pyridinyl)benzaldehyde;2-(3-Pyridyl)benzaldehyde;2-pyridin-3-ylbenzaldehyde;benzaldehyde, 2-(3-pyridinyl)-; |
Article Data | 10 |
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