2-(4-Pyridyl)benzaldehyde supplier

Name
2-(4-Pyridyl)benzaldehyde
EINECS
CAS No. 176526-00-4
Article Data10
CAS DataBase
Density 1.148 g/cm³
Solubility
Melting Point
Formula C₁₂H₉NO
Boiling Point 342.797 °C at 760 mmHg
Molecular Weight 183.21
Flash Point 169.065 °C
Transport Information
Appearance
Safety 36/37
Risk Codes 43
Molecular Structure
Hazard Symbols
Synonyms 2-(4-Pyridyl)benzaldehyde;
PSA 29.96000
LogP 2.56110

2-(4-Pyridyl)benzaldehyde Specification

The 2-(4-Pyridyl)benzaldehyde, with the CAS registry number 176526-00-4, has the systematic name of 2-(pyridin-4-yl)benzaldehyde. It belongs to the category of Heterocycles, Heterocyclic Compound and Benzaldehyde. What's more, it is harmful, so you should be cautious while dealing with it.

The characteristics of this chemical are as followings: (1)ACD/LogP: 1.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.64; (4)ACD/LogD (pH 7.4): 1.71; (5)ACD/BCF (pH 5.5): 9.99; (6)ACD/BCF (pH 7.4): 11.78; (7)ACD/KOC (pH 5.5): 172.37; (8)ACD/KOC (pH 7.4): 203.26; (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: 169.1°C; (20)Enthalpy of Vaporization: 58.66 kJ/mol; (21)Boiling Point: 342.8°C at 760 mmHg; (22)Vapour Pressure: 7.35E-05 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=Cc1ccccc1c2ccncc2
(2)InChI: InChI=1/C12H9NO/c14-9-11-3-1-2-4-12(11)10-5-7-13-8-6-10/h1-9H
(3)InChIKey: HPSCYFZOYJSYGZ-UHFFFAOYAN

Product Name

2-(4-Pyridyl)benzaldehyde

2-(4-Pyridyl)benzaldehyde Specification

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