2-(BROMOMETHYL)-6-(HYDROXYMETHYL)PYRIDINE

The 2-Pyridinemethanol, 6-(bromomethyl)-, with the CAS registry number 40054-01-1, is also known as 6-(Bromomethyl)-2-pyridinemethanol. This chemical's molecular formula is C₇H₈BrNO and molecular weight is 202.05. What's more, both its IUPAC name and systematic name are the same which is called [6-(Bromomethyl)pyridin-2-yl]methanol.

Physical properties about 2-Pyridinemethanol, 6-(bromomethyl)- are: (1)ACD/LogP: 0.243; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.24; (4)ACD/LogD (pH 7.4): 0.24; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 32.18; (8)ACD/KOC (pH 7.4): 32.30; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 33.12 Å²; (13)Index of Refraction: 1.606; (14)Molar Refractivity: 43.444 cm³; (15)Molar Volume: 125.966 cm³; (16)Polarizability: 17.222×10^-24cm³; (17)Surface Tension: 55.56 dyne/cm; (18)Density: 1.604 g/cm³; (19)Flash Point: 125.633 °C; (20)Enthalpy of Vaporization: 55.248 kJ/mol; (21)Boiling Point: 284.122 °C at 760 mmHg; (22)Vapour Pressure: 0.0010 mmHg at 25 °C.

Preparation of 2-Pyridinemethanol, 6-(bromomethyl)-: this chemical can be prepared by 2,6-bis-hydroxymethyl-pyridine. The reaction occurs with reagent HBr and other condition of heating for 1 hour. The yield is 39 %.

Uses of 2-Pyridinemethanol, 6-(bromomethyl)-: it is used to produce other chemicals. For example, it can react with azepane to get N-{[6-(hydroxymethyl)-2-pyridyl]methyl}hexamethylenimine. This reaction needs solvents acetonitrile, triethylamine. The reaction time is 12 hours. The yield is 75 %.

When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin, eyes and respiratory system or other mucous membranes. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: BrCc1nc(ccc1)CO
(2) InChI: InChI=1S/C7H8BrNO/c8-4-6-2-1-3-7(5-10)9-6/h1-3,10H,4-5H2
(3) InChIKey: JLYYQZROGJLCCS-UHFFFAOYSA-N