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5-(2-Bromoacetyl)-2-chloropyridine

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Name

5-(2-Bromoacetyl)-2-chloropyridine

EINECS N/A
CAS No. 23794-13-0 Density 1.683 g/cm3
PSA 29.96000 LogP 2.31260
Solubility N/A Melting Point 79-80℃
Formula C7H5BrClNO Boiling Point 330.9 °C at 760 mmHg
Molecular Weight 234.4777 Flash Point 153.9 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 23794-13-0 (2-Bromo-1-(6-chloropyridin-3-yl)-ethanone) Hazard Symbols N/A
Synonyms

2-Bromo-1-(6-chloropyridin-3-yl)ethanone;

 

5-(2-Bromoacetyl)-2-chloropyridine Specification

The Ethanone, 2-bromo-1-(6-chloro-3-pyridinyl)-, with the CAS registry number 23794-13-0, is also known as Brommethyl-(6-chlor-3-pyridyl)-keton. This chemical's molecular formula is C7H5BrClNO and molecular weight is 234.4777. What's more, its systematic name is called 2-Bromo-1-(6-chloropyridin-3-yl)ethanone.

Physical properties about Ethanone, 2-bromo-1-(6-chloro-3-pyridinyl)- are: (1)ACD/LogP: 1.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.76; (4)ACD/LogD (pH 7.4): 1.76; (5)ACD/BCF (pH 5.5): 12.72; (6)ACD/BCF (pH 7.4): 12.72; (7)ACD/KOC (pH 5.5): 214.86; (8)ACD/KOC (pH 7.4): 214.86; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 29.96 Å2; (13)Index of Refraction: 1.589; (14)Molar Refractivity: 46.99 cm3; (15)Molar Volume: 139.3 cm3; (16)Surface Tension: 52.2 dyne/cm; (17)Density: 1.683 g/cm3; (18)Flash Point: 153.9 °C; (19)Enthalpy of Vaporization: 57.35 kJ/mol; (20)Boiling Point: 330.9 °C at 760 mmHg; (21)Vapour Pressure: 0.000161 mmHg at 25 °C.

Preparation of Ethanone, 2-bromo-1-(6-chloro-3-pyridinyl)-: this chemical can be prepared by 1-(6-Chloro-[3]pyridyl)-ethanone. This reaction needs reagent bromobarbituric acid, solvent tetrahydrofuran and other condition of heating. The yield is 73 %.

 Ethanone, 2-bromo-1-(6-chloro-3-pyridinyl)- can be prepared by 1-(6-Chloro-[3]pyridyl)-ethanone.

Uses of Ethanone, 2-bromo-1-(6-chloro-3-pyridinyl)-: it is used to produce other chemicals. For example, it can react to get 2-Bromo-1-(6-chloro-pyridin-3-yl)-ethanol. The reaction occurs with reagent (-)-B-chlorodiisopinocampheylborane and solvent tetrahydrofuran at temperature of -25 °C. The yield is 84 %.

Ethanone, 2-bromo-1-(6-chloro-3-pyridinyl)- can react to get 2-Bromo-1-(6-chloro-pyridin-3-yl)-ethanol.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(CBr)c1cnc(Cl)cc1
(2) InChI: InChI=1/C7H5BrClNO/c8-3-6(11)5-1-2-7(9)10-4-5/h1-2,4H,3H2
(3) InChIKey: ULZREOFAPZUQHH-UHFFFAOYAN

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