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122306-01-8

Basic Information
CAS No.: 122306-01-8
Name: 3-Pyridinemethanol,6-bromo-
Molecular Structure:
Molecular Structure of 122306-01-8 (3-Pyridinemethanol,6-bromo-)
Formula: C6H6BrNO
Molecular Weight: 188.02
Synonyms: (2-Bromopyridin-5-yl)methanol;(6-Bromopyridin-3-yl)methanol;2-Bromo-5-(hydroxymethyl)pyridine;2-Bromo-5-pyridinemethanol;6-Bromopyridine-3-methanol;(6-bromopyridin-3-yl)methanol;3-pyridinemethanol, 6-bromo-;
EINECS:
Density: 1.669 g/cm3
Melting Point: 48-51℃
Boiling Point: 314.278 °C at 760 mmHg
Flash Point: 143.871 °C
Solubility:
Appearance:
Hazard Symbols: Xn
Risk Codes: 22-37/38-41
Safety: 26-39
Transport Information:
PSA:
LogP:
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  • 6-Bromo-3-pyridinemethanol

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  • (6-Bromo-pyridin-3-yl)methanol

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    122306-01-8

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Specification

The 3-Pyridinemethanol,6-bromo-, with the CAS registry number 122306-01-8, has the systematic name and IUPAC name of (6-bromopyridin-3-yl)methanol. It belongs to the product categories of Building Blocks and Pyridine. And the molecular formula of the chemical is C6H6BrNO.

The characteristics of 3-Pyridinemethanol,6-bromo- are as followings: (1)ACD/LogP: 0.35; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 22.12 Å2; (7)Index of Refraction: 1.598; (8)Molar Refractivity: 38.48 cm3; (9)Molar Volume: 112.6 cm3; (10)Polarizability: 15.25×10-24cm3; (11)Surface Tension: 54 dyne/cm; (12)Density: 1.668 g/cm3; (13)Flash Point: 143.9 °C; (14)Enthalpy of Vaporization: 58.64 kJ/mol; (15)Boiling Point: 314.3 °C at 760 mmHg; (16)Vapour Pressure: 0.0002 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1cc(ncc1CO)Br
(2)InChI: InChI=1/C6H6BrNO/c7-6-2-1-5(4-9)3-8-6/h1-3,9H,4H2
(3)InChIKey: QPPDKOIDAYZUHN-UHFFFAOYAC