3-(3-Pyridyl)benzaldehyde supplier

Name
3-(3-PYRIDYL)BENZALDEHYDE
EINECS
CAS No. 131231-24-8
Article Data10
CAS DataBase
Density 1.147 g/cm³
Solubility
Melting Point
Formula C₁₂H₉NO
Boiling Point 355.8 °C at 760 mmHg
Molecular Weight 183.21
Flash Point 176.8 °C
Transport Information
Appearance
Safety 26
Risk Codes Harmful:;
Molecular Structure
Hazard Symbols Xn
Synonyms 3-(3-Pyridyl)benzaldehyde;3-Pyridin-3-ylbenzaldehyde;
PSA 29.96000
LogP 2.56110

3-(3-Pyridyl)benzaldehyde Specification

This chemical is called 3-(3-Pyridyl)benzaldehyde, and it can also be named as benzaldehyde, 3-(3-pyridinyl)-. With the molecular formula of C₁₂H₉NO, its molecular weight is 183.21. The CAS registry number of this chemical is 131231-24-8. In addition, this chemical is harmful, you should be careful when you use it.

Other characteristics of the 3-(3-Pyridyl)benzaldehyde can be summarised as followings: (1)ACD/LogP: 2.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.33; (4)ACD/LogD (pH 7.4): 2.36; (5)ACD/BCF (pH 5.5): 33.84; (6)ACD/BCF (pH 7.4): 36.67; (7)ACD/KOC (pH 5.5): 422.96; (8)ACD/KOC (pH 7.4): 458.4; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 29.96 Å²; (13)Index of Refraction: 1.614; (14)Molar Refractivity: 55.68 cm³; (15)Molar Volume: 159.6 cm³; (16)Polarizability: 22.07×10^-24cm³; (17)Surface Tension: 47.8 dyne/cm; (18)Density: 1.147 g/cm³; (19)Flash Point: 176.8 °C; (20)Enthalpy of Vaporization: 60.09 kJ/mol; (21)Boiling Point: 355.8 °C at 760 mmHg; (22)Vapour Pressure: 3.06E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc2cc(c1cccnc1)ccc2
(2)InChI: InChI=1/C12H9NO/c14-9-10-3-1-4-11(7-10)12-5-2-6-13-8-12/h1-9H
(3)InChIKey: UJPFNRWGFPAZMO-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C12H9NO/c14-9-10-3-1-4-11(7-10)12-5-2-6-13-8-12/h1-9H
(5)Std. InChIKey: UJPFNRWGFPAZMO-UHFFFAOYSA-N

Product Name

3-(3-PYRIDYL)BENZALDEHYDE

3-(3-Pyridyl)benzaldehyde Specification

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