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2-Bromo-2'-fluoroacetophenone

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Name

2-Bromo-2'-fluoroacetophenone

EINECS N/A
CAS No. 655-15-2 Density 1.568 g/cm3
PSA 17.07000 LogP 2.40330
Solubility N/A Melting Point 25-27 °C
Formula C8H6BrFO Boiling Point 239.4 °C at 760 mmHg
Molecular Weight 217.037 Flash Point 98.6 °C
Transport Information N/A Appearance Liquid
Safety 26-36/37/39-45-27 Risk Codes 36/37/38-34
Molecular Structure Molecular Structure of 655-15-2 (2-Bromo-2'-fluoroacetophenone) Hazard Symbols CorrosiveC
Synonyms

Acetophenone,2-bromo-2'-fluoro- (6CI,8CI);1-Bromo-2'-fluoroacetophenone;2-Bromo-1-(2-fluorophenyl)ethanone;2-Bromo-2'-fluoroacetophenone;2-Fluorophenacyl bromide;o-Fluorophenacyl bromide;a-Bromo-2-fluoroacetophenone;w-Bromo-2-fluoroacetophenone;

Article Data 57

2-Bromo-2'-fluoroacetophenone Specification

The 2-Bromo-2'-fluoroacetophenone, with the CAS registry number 655-15-2, is also known as 2-Fluorophenacyl bromide. It belongs to the product categories of Acetylhalide; Ketone; Aromatics. This chemical's molecular formula is C8H6BrFO and molecular weight is 217.04. Its IUPAC name is called 2-bromo-1-(2-fluorophenyl)ethanone. This chemical is a new class of acetophenone-based cinchona alkaloid-derived quaternary ammonium salts were prepared and evaluated as phase-transfer catalysts in the enantioselective alkylation of glycine imine ester.

Physical properties of 2-Bromo-2'-fluoroacetophenone: (1)ACD/LogP: 1.82; (2)ACD/LogD (pH 5.5): 1.82; (3)ACD/LogD (pH 7.4): 1.82; (4)ACD/BCF (pH 5.5): 14.23; (5)ACD/BCF (pH 7.4): 14.23; (6)ACD/KOC (pH 5.5): 232.82; (7)ACD/KOC (pH 7.4): 232.82; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.548; (11)Molar Refractivity: 44 cm3; (12)Molar Volume: 138.3 cm3; (13)Surface Tension: 41.7 dyne/cm; (14)Density: 1.568 g/cm3; (15)Flash Point: 98.6 °C; (16)Enthalpy of Vaporization: 47.63 kJ/mol; (17)Boiling Point: 239.4 °C at 760 mmHg; (18)Vapour Pressure: 0.0402 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may destroy living tissue on contact and may cause burns. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C(=C1)C(=O)CBr)F
(2)InChI: InChI=1S/C8H6BrFO/c9-5-8(11)6-3-1-2-4-7(6)10/h1-4H,5H2
(3)InChIKey: QDNWNJSLWKHNTM-UHFFFAOYSA-N

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