3-Bromo-5-hydroxymethylpyridine supplier

Name
(5-BROMO-PYRIDIN-3-YL)-METHANOL
EINECS
CAS No. 37669-64-0
Density 1.668 g/cm³
Solubility
Melting Point
Formula C₆H₆BrNO
Boiling Point 291.5 °C at 760 mmHg
Molecular Weight 188.024
Flash Point 130.1 °C
Transport Information
Appearance
Safety
Risk Codes Xi:;
Molecular Structure
Hazard Symbols Xi
Synonyms (5-Bromo-3-pyridyl)methanol;5-Bromo-3-(hydroxymethyl)pyridine;5-Bromo-3-pyridinemethanol;5-Bromopyridin-3-ylmethanol;3-Bromo-5-hydroxymethylpyridine;(3-Bromopyridin-5-yl)methanol;
PSA 33.12000
LogP 1.33640

3-Bromo-5-hydroxymethylpyridine Specification

The IUPAC name of 3-Bromo-5-hydroxymethylpyridine is (5-bromopyridin-3-yl)methanol. With the CAS registry number 37669-64-0, it is also named as (3-Bromopyridin-5-yl)methanol. The product's categories are Building Blocks; Pyridine; Pyridines. It is used as pharmaceutical intermediates. In addition, its molecular formula is C₆H₆BrNO and its molecular weight is 188.02.

The other characteristics of 3-Bromo-5-hydroxymethylpyridine can be summarized as: (1)ACD/LogP: 0.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.57; (4)ACD/LogD (pH 7.4): 0.57; (5)ACD/BCF (pH 5.5): 1.59; (6)ACD/BCF (pH 7.4): 1.59; (7)ACD/KOC (pH 5.5): 48.45; (8)ACD/KOC (pH 7.4): 48.49; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 22.12 Å²; (13)Index of Refraction: 1.598; (14)Molar Refractivity: 38.48 cm³; (15)Molar Volume: 112.6 cm³; (16)Polarizability: 15.25×10^-24cm³; (17)Surface Tension: 54 dyne/cm; (18)Density: 1.668 g/cm³; (19)Flash Point: 130.1 °C; (20)Enthalpy of Vaporization: 56.07 kJ/mol; (21)Boiling Point: 291.5 °C at 760 mmHg; (22)Vapour Pressure: 0.00089 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: Brc1cc(cnc1)CO
(2)InChI: InChI=1/C6H6BrNO/c7-6-1-5(4-9)2-8-3-6/h1-3,9H,4H2
(3)InChIKey: WDVDHJLKXYCOFS-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C6H6BrNO/c7-6-1-5(4-9)2-8-3-6/h1-3,9H,4H2
(5)Std. InChIKey: WDVDHJLKXYCOFS-UHFFFAOYSA-N

Product Name

(5-BROMO-PYRIDIN-3-YL)-METHANOL

3-Bromo-5-hydroxymethylpyridine Specification

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