3-(2-Pyridinyl)benzaldehyde supplier

Name
3-(2-PYRIDYL)BENZALDEHYDE
EINECS
CAS No. 85553-53-3
Article Data21
CAS DataBase
Density 1.147 g/cm³
Solubility
Melting Point 163℃
Formula C₁₂H₉NO
Boiling Point 345.5 °C at 760 mmHg
Molecular Weight 183.21
Flash Point 170.7 °C
Transport Information
Appearance
Safety 26
Risk Codes 22-36
Molecular Structure
Hazard Symbols Xn
Synonyms 3-Pyridin-2-ylbenzaldehyde;3-(2-Pyridyl)benzaldehyde;
PSA 29.96000
LogP 2.56110

3-(2-Pyridinyl)benzaldehyde Specification

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

Product Name

3-(2-PYRIDYL)BENZALDEHYDE

3-(2-Pyridinyl)benzaldehyde Specification

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