The 2-Bromo-3'-methoxyacetophenone is an organic compound with the formula C₉H₉BrO₂. The IUPAC name of this chemical is 2-bromo-1-(3-methoxyphenyl)ethanone. With the CAS registry number 5000-65-7, it is also named as Ethanone, 2-bromo-1-(3-methoxyphenyl)-. The product's categories are Aromatic Halides (substituted); Analytical Chemistry; Carboxyl Group Labeling Reagents for HPLC; HPLC Labeling Reagents; UV Detection (HPLC Labeling Reagents). Besides, it is a white to slightly yellow-green cryst, which should be stored in a cool,dry place at temperature of 0 - 6 °C.

Physical properties about 2-Bromo-3'-methoxyacetophenone are: (1)ACD/LogP: 2.37; (2)ACD/LogD (pH 5.5): 2.37; (3)ACD/LogD (pH 7.4): 2.37; (4)ACD/BCF (pH 5.5): 36.97; (5)ACD/BCF (pH 7.4): 36.97; (6)ACD/KOC (pH 5.5): 461.17; (7)ACD/KOC (pH 7.4): 461.17; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 26.3 Å²; (11)Index of Refraction: 1.554; (12)Molar Refractivity: 50.69 cm³; (13)Molar Volume: 158.1 cm³; (14)Polarizability: 20.09×10^-24cm³; (15)Surface Tension: 41.4 dyne/cm; (16)Density: 1.448 g/cm³; (17)Flash Point: 122 °C; (18)Enthalpy of Vaporization: 51.67 kJ/mol; (19)Boiling Point: 278.1 °C at 760 mmHg; (20)Vapour Pressure: 0.00434 mmHg at 25°C.

Preparation: this chemical can be prepared by 1-(3-methoxy-phenyl)-ethanone. This reaction will need reagentBr₂, HCl and solvent acetic acid. The reaction temperature is 20 °C.

Uses of 2-Bromo-3'-methoxyacetophenone: it can be used to produce 2-(3-methoxy-phenyl)-imidazo[1,2-a]pyrimidine by heating. It will need solvent 1,2-dimethoxy-ethane with reaction time of 48 hours. The yield is about 75%.

When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed and can cause burns. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes and respiratory system. After contact with skin, take off immediately all contaminated clothing, and wash immediately with plenty of ... (to be specified by the manufacturer). When you are using it, wear suitable 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)SMILES: BrCC(=O)c1cc(OC)ccc1
(2)InChI: InChI=1/C9H9BrO2/c1-12-8-4-2-3-7(5-8)9(11)6-10/h2-5H,6H2,1H3
(3)InChIKey: IOOHBIFQNQQUFI-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C9H9BrO2/c1-12-8-4-2-3-7(5-8)9(11)6-10/h2-5H,6H2,1H3
(5)Std. InChIKey: IOOHBIFQNQQUFI-UHFFFAOYSA-N