Benzaldehyde,2-(3-pyridinyl)- supplier

Name
2-PYRIDIN-3-YL-BENZALDEHYDE
EINECS
CAS No. 176690-44-1
Article Data10
CAS DataBase
Density 1.147 g/cm³
Solubility
Melting Point 83℃
Formula C₁₂H₉NO
Boiling Point 356.8 °C at 760 mmHg
Molecular Weight 183.21
Flash Point 177.4 °C
Transport Information
Appearance
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)-;
PSA 29.96000
LogP 2.56110

Benzaldehyde,2-(3-pyridinyl)- Specification

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

Product Name

2-PYRIDIN-3-YL-BENZALDEHYDE

Benzaldehyde,2-(3-pyridinyl)- Specification

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