3-Bromophenacyl bromide

The IUPAC name of 3-Bromophenacyl bromide is 2-bromo-1-(3-bromophenyl)ethanone. With the CAS registry number 18523-22-3, it is also named as 2,3'-Dibromoacetophenone. The product is light yellow crystalline powder, which should be stored in sealed containers in a cool, dry and ventilated place. In addition, its molecular formula is C₈H₆Br₂O and molecular weight is 277.94.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 3.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.1; (4)ACD/LogD (pH 7.4): 3.1; (5)ACD/BCF (pH 5.5): 134.1; (6)ACD/BCF (pH 7.4): 134.1; (7)ACD/KOC (pH 5.5): 1159.93; (8)ACD/KOC (pH 7.4): 1159.93; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.603; (14)Molar Refractivity: 51.7 cm³; (15)Molar Volume: 150.3 cm³; (16)Polarizability: 20.49×10^-24cm³; (17)Surface Tension: 47.7 dyne/cm; (18)Density: 1.848 g/cm³; (19)Flash Point: 111.5 °C; (20)Melting Point: 47-52 °C; (21)Enthalpy of Vaporization: 54.63 kJ/mol; (22)Boiling Point: 305.9 °C at 760 mmHg; (23)Vapour Pressure: 0.0008 mmHg at 25 °C.

Uses of 3-Bromophenacyl bromide: it can react with pyrimidin-2-ylamine to get 2-(3-bromo-phenyl)-imidazo[1,2-alpha]pyrimidine.



This reaction needs 1,2-dimethoxy-ethane by heating for 48 hours. The yield is 80 %.

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

People can use the following data to convert to the molecule structure.
(1)Canonical SMILES: C1=CC(=CC(=C1)Br)C(=O)CBr
(2)InChI: InChI=1S/C8H6Br2O/c9-5-8(11)6-2-1-3-7(10)4-6/h1-4H,5H2
(3)InChIKey: MZBXSQBQPJWECM-UHFFFAOYSA-N