CAS No.103-31-1,4-Styrylpyridine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	103-31-1
Name:	4-Styrylpyridine

Formula:	C₁₃H₁₁N
Molecular Weight:	181.23
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;
EINECS:	203-099-0
Density:	1.092g/cm³
Melting Point:	131 °C
Boiling Point:	309.8 °C at 760 mmHg
Flash Point:	132.5 °C
Risk Codes:	36/37/38
Safety:	26-36
PSA:	12.89000
LogP:	3.25200

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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