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Name |
Pyridine, 4-(2-phenylethyl)- |
EINECS | N/A |
CAS No. | 2116-64-5 | Density | 1.04 g/cm3 |
PSA | 12.89000 | LogP | 2.86680 |
Solubility | N/A | Melting Point |
N/A |
Formula | C13H13N | Boiling Point | 283.2 °C at 760 mmHg |
Molecular Weight | 183.253 | Flash Point | 116.2 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-(2-Phenylethyl)pyridine;4-Phenethylpyridine;4-Phenethyl-pyridine; |
Article Data | 37 |
The Pyridine, 4-(2-phenylethyl)-, with the CAS registry number 2116-64-5, is also known as 4-Phenethylpyridine. This chemical's molecular formula is C13H13N and molecular weight is 183.25. What's more, its systematic name is 4-(2-phenylethyl)pyridine.
Physical properties of Pyridine, 4-(2-phenylethyl)- are: (1)ACD/LogP: 3.21; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 12.89 Å2; (7)Index of Refraction: 1.576; (8)Molar Refractivity: 58.38 cm3; (9)Molar Volume: 176.1 cm3; (10)Polarizability: 23.14×10-24cm3; (11)Surface Tension: 42.6 dyne/cm; (12)Density: 1.04 g/cm3; (13)Flash Point: 116.2 °C; (14)Enthalpy of Vaporization: 50.12 kJ/mol; (15)Boiling Point: 283.2 °C at 760 mmHg; (16)Vapour Pressure: 0.00547 mmHg at 25°C.
Preparation: this chemical can be prepared by 4-vinyl-pyridine, phenylboronic acid at the temperature of 80 °C. This reaction will need reagents [Rh(COD)Cl]2, TPPDS, aq. Na2CO3 with the reaction time of 15 hours. This reaction will also need catalyst SDS. The yield is about 80%.
Uses of Pyridine, 4-(2-phenylethyl)-: it can be used to produce 1-benzyl-4-(2-phenylethyl)pyridinium chloride by heating. It will need solvent acetone with the reaction time of 48 hours. The yield is about 65%.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)CCC2=CC=NC=C2
(2)InChI: InChI=1S/C13H13N/c1-2-4-12(5-3-1)6-7-13-8-10-14-11-9-13/h1-5,8-11H,6-7H2
(3)InChIKey: UWLBLNRDXXHYGS-UHFFFAOYSA-N