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2-Bromo-3-(hydroxymethyl)pyridine

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Name

2-Bromo-3-(hydroxymethyl)pyridine

EINECS N/A
CAS No. 131747-54-1 Density 1.669 g/cm3
PSA 33.12000 LogP 1.33640
Solubility N/A Melting Point 75 °C
Formula C6H6BrNO Boiling Point 307.384 °C at 760 mmHg
Molecular Weight 188.024 Flash Point 139.701 °C
Transport Information N/A Appearance N/A
Safety 26-37 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 131747-54-1 (2-Bromo-3-(hydroxymethyl)pyridine) Hazard Symbols N/A
Synonyms

(2-Bromopyridin-3-yl)methanol;

Article Data 34

2-Bromo-3-(hydroxymethyl)pyridine 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

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