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CAS No.: | 1204-21-3 |
---|---|
Name: | 2-BROMO-2',5'-DIMETHOXYACETOPHENONE |
Article Data: | 18 |
Molecular Structure: | |
Formula: | C10H11BrO3 |
Molecular Weight: | 259.1 |
Synonyms: | Acetophenone,2-bromo-2',5'-dimethoxy- (7CI,8CI);2,5-Dimethoxyphenacyl bromide;2-Bromo-1-(2,5-dimethoxyphenyl)ethanone;a-Bromo-2,5-dimethoxyacetophenone;w-Bromo-2,5-dimethoxyacetophenone; |
EINECS: | 214-873-2 |
Density: | 1.422 g/cm3 |
Melting Point: | 83-85 °C |
Boiling Point: | 323.076 °C at 760 mmHg |
Flash Point: | 149.191 °C |
Appearance: | beige fine cryst. powder or fine cryst. needles |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-27-37/39 |
Transport Information: | UN 2811 6.1/PG 3 |
PSA: | 35.53000 |
LogP: | 2.28140 |
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The IUPAC name of Ethanone,2-bromo-1-(2,5-dimethoxyphenyl)- is 2-bromo-1-(2,5-dimethoxyphenyl)ethanone. With the CAS registry number 1204-21-3, it is also named as 2,5-Dimethoxyphenacyl bromide. The product's categories are C10; Carbonyl Compounds; Ketones; Acetophenone Series. Besides, it is beige fine cryst. powder or fine cryst. needles, which should be stored in sealed container in cool and dry place. In addition, its molecular formula is C10H11BrO3 and molecular weight is 259.1.
The other characteristics of this product can be summarized as: (1)EINECS: 214-873-2; (2)ACD/LogP: 2.63; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 2.63; (5)ACD/LogD (pH 7.4): 2.63; (6)ACD/BCF (pH 5.5): 58.82; (7)ACD/BCF (pH 7.4): 58.82; (8)ACD/KOC (pH 5.5): 643.01; (9)ACD/KOC (pH 7.4): 643.01; (10)#H bond acceptors: 3; (11)#H bond donors: 0; (12)#Freely Rotating Bonds: 4; (13)Index of Refraction: 1.542; (14)Molar Refractivity: 57.36 cm3; (15)Molar Volume: 182.1 cm3; (16)Surface Tension: 39.9 dyne/cm; (17)Density: 1.422 g/cm3; (18)Flash Point: 149.2 °C; (19)Melting Point: 83-85 °C; (20)Enthalpy of Vaporization: 56.5 kJ/mol; (21)Boiling Point: 323.1 °C at 760 mmHg; (22)Vapour Pressure: 0.000268 mmHg at 25 °C.
Uses of Ethanone,2-bromo-1-(2,5-dimethoxyphenyl)-: it can react with Isoquinolin-1-ylamine to get 2-(2,5-Dimethoxy-phenyl)-imidazo[2,1-α]isochinolin.
This reaction needs CHCl3 at room temperature for 15 min. The yield is 81 %.
When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. You should wear suitable gloves and eye/face protection. Please take off immediately all contaminated clothing. Moreover, in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
People can use the following data to convert to the molecule structure.
(1)SMILES: BrCC(=O)c1cc(OC)ccc1OC
(2)InChI: InChI=1/C10H11BrO3/c1-13-7-3-4-10(14-2)8(5-7)9(12)6-11/h3-5H,6H2,1-2H3
(3)InChIKey: RGQNFYVSEWDUEI-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C10H11BrO3/c1-13-7-3-4-10(14-2)8(5-7)9(12)6-11/h3-5H,6H2,1-2H3
(5)Std. InChIKey: RGQNFYVSEWDUEI-UHFFFAOYSA-N