Name: 2-BROMO-2',4'-DIMETHOXYACETOPHENONE
SKU: 60965-26-6

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Basic Information

Molecular Structure:
CAS No.:	60965-26-6
Name:	2-BROMO-2',4'-DIMETHOXYACETOPHENONE
Article Data:	22

Formula:	C₁₀H₁₁BrO₃
Molecular Weight:	259.1
Synonyms:	2,4-Dimethoxyphenacylbromide;2-Bromo-1-(2,4-dimethoxyphenyl)ethanone;2-Bromo-2',4'-dimethoxyacetophenone;NSC 158566;
EINECS:	262-542-6
Density:	1.422 g/cm³
Melting Point:	102-104 °C
Boiling Point:	348.2 °C at 760 mmHg
Flash Point:	164.4 °C
Appearance:	white to brown fine crystalline powder
Hazard Symbols:	Xi,C
Risk Codes:	36/37/38
Safety:	26-27-37/39
PSA:	35.53000
LogP:	2.28140

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Specification

The IUPAC name of Ethanone,2-bromo-1-(2,4-dimethoxyphenyl)- is 2-bromo-1-(2,4-dimethoxyphenyl)ethanone. With the CAS registry number 60965-26-6, it is also named as 2-Bromo-2',4'-dimethoxyacetopheneone. The product's categories are Aromatic Acetophenones & Derivatives (substituted); C10; Carbonyl Compounds; Ketones; Acetophenone Series. Besides, it is white to brown fine crystalline powder, which should be stored in closed 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: 262-542-6; (2)ACD/LogP: 2.36; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 2.36; (5)ACD/LogD (pH 7.4): 2.36; (6)ACD/BCF (pH 5.5): 36.67; (7)ACD/BCF (pH 7.4): 36.67; (8)ACD/KOC (pH 5.5): 458.48; (9)ACD/KOC (pH 7.4): 458.48; (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: 164.4 °C; (19)Melting Point: 102-104 °C; (20)Enthalpy of Vaporization: 59.26 kJ/mol; (21)Boiling Point: 348.2 °C at 760 mmHg; (22)Vapour Pressure: 5.11E-05 mmHg at 25 °C.

Uses of Ethanone,2-bromo-1-(2,4-dimethoxyphenyl)-: this chemical is an inhibitor of papain. Furthermore, it can react Pyrimidin-2-ylamine to get 2-(2,4-Dimethoxy-phenyl)-imidazo[1,2-α]pyrimidine.

This reaction needs 1,2-Dimethoxy-ethane by heating for 48 hours.

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. And 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)c1ccc(OC)cc1OC
(2)InChI: InChI=1/C10H11BrO3/c1-13-7-3-4-8(9(12)6-11)10(5-7)14-2/h3-5H,6H2,1-2H3
(3)InChIKey: PKVBZABQCCQHLD-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C10H11BrO3/c1-13-7-3-4-8(9(12)6-11)10(5-7)14-2/h3-5H,6H2,1-2H3
(5)Std. InChIKey: PKVBZABQCCQHLD-UHFFFAOYSA-N