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4-Styrylpyridine

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Name

4-Styrylpyridine

EINECS 203-099-0
CAS No. 103-31-1 Density 1.092g/cm3
PSA 12.89000 LogP 3.25200
Solubility N/A Melting Point 131 °C
Formula C13H11N Boiling Point 309.8 °C at 760 mmHg
Molecular Weight 181.23 Flash Point 132.5 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 103-31-1 (4-Styrylpyridine) Hazard Symbols N/A
Synonyms

4-Stilbazole(6CI);Pyridine, 4-styryl- (8CI);4-(2-Phenylethenyl)pyridine;4-(2-Phenylvinyl)pyridine;4-Styrylpyridine;Ba 35988;Ba 35998;NSC 360203;NSC 44776;NSC 9496;g-Stilbazole;

 

4-Styrylpyridine Specification

The 4-Styrylpyridine, with the cas registry number 103-31-1 and EINECS registry number 203-099-0, has the systematic name of 4-(2-phenylethenyl)pyridine. And the molecular formula of the chemical is C13H11N.

The characteristics of this chemical are as followings: (1)ACD/LogP: 3.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.82; (4)ACD/LogD (pH 7.4): 3.33; (5)ACD/BCF (pH 5.5): 61.46; (6)ACD/BCF (pH 7.4): 197.89; (7)ACD/KOC (pH 5.5): 472.05; (8)ACD/KOC (pH 7.4): 1519.92; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 12.89 Å2; (13)Index of Refraction: 1.666; (14)Molar Refractivity: 61.73 cm3; (15)Molar Volume: 165.8 cm3; (16)Polarizability: 24.47×10-24cm3; (17)Surface Tension: 47.7 dyne/cm; (18)Density: 1.092 g/cm3; (19)Flash Point: 132.5 °C; (20)Enthalpy of Vaporization: 52.86 kJ/mol; (21)Boiling Point: 309.8 °C at 760 mmHg; (22)Vapour Pressure: 0.00114 mmHg at 25°C.

Preparation of 4-Styrylpyridine: This chemical can be prepared by pyridine-4-carbaldehyde and bromomethyl-benzene. The reaction will need reagent Et4NBr and diethyl phosphite, and the menstruum acetonitrile. The reaction temperature is 20°C, and the yield is about 30%. 

Uses of 4-Styrylpyridine: It can react with [1,2]oxathiolane 2,2-dioxide to produce 3-(4-Styrylpyridinio)propanesulfonate. This reaction will need reagent 3-(4-Styrylpyridinio)propanesulfonate, and the reaction time is 8 hour with heating, and the yield is about 72%.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: n2ccc(C=Cc1ccccc1)cc2
(2)InChI: InChI=1/C13H11N/c1-2-4-12(5-3-1)6-7-13-8-10-14-11-9-13/h1-11H
(3)InChIKey: QKHRGPYNTXRMSL-UHFFFAOYAB
 

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