NICOTINYL CHLORIDE HYDROCHLORIDE

The 3-Pyridinecarbonylchloride is an organic compound with the formula C₆H₄ClNO. The IUPAC name of this chemical is Pyridine-3-carbonyl chloride. With the CAS registry number 10400-19-8, it is also named as Nicotinoyl chloride. Besides, its molecular weight is 141.55506.

Physical properties about 3-Pyridinecarbonylchloride are: (1)ACD/LogP: 0.72; (2)ACD/LogD (pH 5.5): 0.72; (3)ACD/LogD (pH 7.4): 0.72; (4)ACD/BCF (pH 5.5): 2.06; (5)ACD/BCF (pH 7.4): 2.07; (6)ACD/KOC (pH 5.5): 58.43; (7)ACD/KOC (pH 7.4): 58.51; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 29.96 Å²; (11)Index of Refraction: 1.547; (12)Molar Refractivity: 34.58 cm³; (13)Molar Volume: 109 cm³; (14)Polarizability: 13.71×10^-24 cm³; (15)Surface Tension: 46.7 dyne/cm; (16)Density: 1.297 g/cm³; (17)Flash Point: 84 °C; (18)Enthalpy of Vaporization: 45.16 kJ/mol; (19)Boiling Point: 215.3 °C at 760 mmHg; (20)Vapour Pressure: 0.149 mmHg at 25 °C.

Preparation: this chemical can be prepared by Nicotinic acid. This reaction will need reagent SOCl₂. The reaction time is 6 hours with reaction temperature of 90 °C.

Uses of 3-Pyridinecarbonylchloride: it can be used to produce (4-Methoxy-phenyl)-pyridin-3-yl-methanone at temperature of 80 °C. It will need reagent AlCl₃ and solvent 1,2-dichloro-ethane with reaction time of 0.3 hours. The yield is about 30%.

When you are using this chemical, please be cautious about it as the following:
It causes burns. When you are using it, wear suitable protective clothing, gloves and eye/face protection and take off immediately all contaminated clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C6H4ClNO/c7-6(9)5-2-1-3-8-4-5/h1-4H
(2)InChIKey: ATBIAJXSKNPHEI-UHFFFAOYAW
(3)Std. InChI: InChI=1S/C6H4ClNO/c7-6(9)5-2-1-3-8-4-5/h1-4H
(4)Std. InChIKey: ATBIAJXSKNPHEI-UHFFFAOYSA-N