CAS No.131747-54-1,2-Bromo-3-(hydroxymethyl)pyridine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	131747-54-1
Name:	2-Bromo-3-(hydroxymethyl)pyridine
Article Data:	34

Formula:	C₆H₆BrNO
Molecular Weight:	188.024
Synonyms:	(2-Bromopyridin-3-yl)methanol;
Density:	1.669 g/cm³
Melting Point:	75 °C
Boiling Point:	307.384 °C at 760 mmHg
Flash Point:	139.701 °C
Risk Codes:	36/37/38
Safety:	26-37
PSA:	33.12000
LogP:	1.33640

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Specification

The 2-Bromo-3-(hydroxymethyl)pyridine, with the CAS registry number 131747-54-1, is also known as 3-Pyridinemethanol, 2-bromo-. It belongs to the product categories of Bromopyridines; Halopyridines. This chemical's molecular formula is C₆H₆BrNO and molecular weight is 188.02. What's more, its systematic name is (2-Bromopyridin-3-yl)methanol.

Physical properties about 2-Bromo-3-(hydroxymethyl)pyridine are: (1)ACD/LogP: 0.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 37; (8)ACD/KOC (pH 7.4): 37; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 33.12 Å²; (13)Index of Refraction: 1.599; (14)Molar Refractivity: 38.486 cm³; (15)Molar Volume: 112.658 cm³; (16)Polarizability: 15.257×10^-24 cm³; (17)Surface Tension: 54.045 dyne/cm; (18)Density: 1.669 g/cm³; (19)Flash Point: 139.701 °C; (20)Enthalpy of Vaporization: 57.86 kJ/mol; (21)Boiling Point: 307.384 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OCc1cccnc1Br
(2) InChI: InChI=1/C6H6BrNO/c7-6-5(4-9)2-1-3-8-6/h1-3,9H,4H2
(3) InChIKey: QIQZUABMLGJKJP-UHFFFAOYAV