CAS No.40086-66-6,2-bromo-1-pyridin-2-yl-ethanone Suppliers

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Basic Information

Molecular Structure:
CAS No.:	40086-66-6
Name:	2-bromo-1-pyridin-2-yl-ethanone
Article Data:	31

Formula:	C₇H₆BrNO
Molecular Weight:	200.035
Synonyms:	2-BROMO-1-(2-PYRINDINYL)ETHANONE;Ethanone, 2-bromo-1-(2-pyridinyl)-;2-Bromoacetamidopyridine;2-bromo-1-pyridin-2-yl-ethanone;
Density:	1.57 g/cm³
Boiling Point:	249.1 °C at 760 mmHg
Flash Point:	104.5 °C
PSA:	29.96000
LogP:	1.65920

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Specification

The 2-(Bromoacetyl)pyridine, with the CAS registry number 40086-66-6, is also known as Ethanone, 2-bromo-1-(2-pyridinyl)-. This chemical's molecular formula is C₇H₆BrNO and molecular weight is 200.03. Its IUPAC name is called 2-bromo-1-pyridin-2-ylethanone.

Physical properties of 2-(Bromoacetyl)pyridine: (1)ACD/LogP: 1.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.39; (4)ACD/LogD (pH 7.4): 1.39; (5)ACD/BCF (pH 5.5): 6.76; (6)ACD/BCF (pH 7.4): 6.76; (7)ACD/KOC (pH 5.5): 136.67; (8)ACD/KOC (pH 7.4): 136.67; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.575; (13)Molar Refractivity: 42.1 cm³; (14)Molar Volume: 127.3 cm³; (15)Surface Tension: 50 dyne/cm; (16)Density: 1.57 g/cm³; (17)Flash Point: 104.5 °C; (18)Enthalpy of Vaporization: 48.63 kJ/mol; (19)Boiling Point: 249.1 °C at 760 mmHg; (20)Vapour Pressure: 0.0233 mmHg at 25°C.

Uses of 2-(Bromoacetyl)pyridine: it can be used to produce 2,2'-thiazole-2,4-diyl-bis-pyridine by heating. This reaction will need solvent ethanol with reaction time of 3 hours. The yield is about 79%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=NC(=C1)C(=O)CBr
(2)InChI: InChI=1S/C7H6BrNO/c8-5-7(10)6-3-1-2-4-9-6/h1-4H,5H2
(3)InChIKey: DNPMOGQMEOPVNT-UHFFFAOYSA-N