Pyridine,3-(diethylboryl)- (89878-14-8)

The Diethyl(3-pyridyl)borane, with the CAS registry number 89878-14-8, has the IUPAC name of diethyl(pyridin-3-yl)borane. And its product categories are including Nitrogen cyclic compounds; B (Classes of Boron Compounds); Boranes.

The characteristics of this chemical are as follows: (1)ACD/LogP: 1.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.39; (4)ACD/LogD (pH 7.4): 1.42; (5)ACD/BCF (pH 5.5): 6.53; (6)ACD/BCF (pH 7.4): 7.04; (7)ACD/KOC (pH 5.5): 130.43; (8)ACD/KOC (pH 7.4): 140.62; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 12.89; (13)Index of Refraction: 1.457; (14)Molar Refractivity: 46.53 cm³; (15)Molar Volume: 170.7 cm³; (16)Polarizability: 18.44 ×10^-24 cm³; (17)Surface Tension: 28.2 dyne/cm; (18)Density: 0.86 g/cm³; (19)Flash Point: 78.3 °C; (20)Enthalpy of Vaporization: 42.41 kJ/mol; (21)Boiling Point: 205.9 °C at 760 mmHg; (22)Vapour Pressure: 0.35 mmHg at 25°C; (23)Exact Mass: 147.12193; (24)MonoIsotopic Mass: 147.12193; (25)Topological Polar Surface Area: 12.9; (26)Heavy Atom Count: 11; (27)Complexity: 102; (28)Covalently-Bonded Unit Count: 1.

Use of Diethyl(3-pyridyl)borane: Diethyl(3-pyridyl)borane could react with 2-bromo-thiophene to produce 3-thiophen-2-yl-pyridine. The reaction could happen in the reagent of KOH, tetra-n-butylammonium bromide, the solvent of tetrahydrofuran, the catalytic agent of terakispalladium. And it needs the reaction time of 8 hours in the condition of heating. Besides, its yield is 75 %.

When you are dealing with this chemical, you should be very cautious. This is a kind of irritant  chemical, it is irritating to eyes, respiratory system and skin and may cause inflammation to the skin or other mucous membranes. Therefore, you should wear suitable gloves and eye/face protection and then avoid contacting with skin and eyes. And then if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: B(CC)(CC)C1=CN=CC=C1
(2)InChI: InChI=1S/C9H14BN/c1-3-10(4-2)9-6-5-7-11-8-9/h5-8H,3-4H2,1-2H3
(3)InChIKey: OJKBCQOJVMAHDX-UHFFFAOYSA-N