4-Bromophenylacetyl chloride

The Benzeneacetyl chloride,4-bromo-, with the CAS registry number 37859-24-8, is also known as (p-Bromophenyl)acetyl chloride. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C₈H₆BrClO and molecular weight is 233.4896. What's more, its IUPAC name is called 2-(4-bromophenyl)acetyl chloride.

Physical properties of Benzeneacetyl chloride,4-bromo-: (1)ACD/LogP: 3.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.01; (4)ACD/LogD (pH 7.4): 3.01; (5)ACD/BCF (pH 5.5): 113.28; (6)ACD/BCF (pH 7.4): 113.28; (7)ACD/KOC (pH 5.5): 1027.98; (8)ACD/KOC (pH 7.4):  1027.98; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.07 Ų; (13)Index of Refraction: 1.572; (14)Molar Refractivity: 48.37 cm³; (15)Molar Volume: 146.9 cm³; (16)Surface Tension: 43.7 dyne/cm; (17)Density: 1.589 g/cm³; (18)Flash Point: 125.9 °C; (19)Enthalpy of Vaporization: 52.35 kJ/mol; (20)Boiling Point:  284.6 °C at 760 mmHg; (21)Vapour Pressure: 0.00296 mmHg at 25°C.

Uses of Benzeneacetyl chloride,4-bromo-: it can be used to produce 3-(p-bromophenyl)-7-(p-bromophenylacetoxy)-4-methylcoumarin at ambient temperature. It will need reagent tetrabutylammonium hydrogensulfate, aq. potassium carbonate and solvent benzene with reaction time of 4 hours. The yield is about 98%.

When you are using this chemical, please be cautious about it as the following:
It can cause burns. Once contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When you are using it, you should wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: C1=CC(=CC=C1CC(=O)Cl)Br
(2)InChI: InChI=1S/C8H6BrClO/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2
(3)InChIKey: VQVBNWUUKLBHGI-UHFFFAOYSA-N