Soluble in alcohol, ether, insoluble in water
164 °C at 760 mmHg
UN 1992 3/PG 3
colourless to slightly yellow liquid
Isobutyricacid, a-bromo-, Et ester (4CI);Propionic acid, 2-bromo-2-methyl-, ethyl ester (6CI,7CI,8CI);2-Bromo-2-methylpropanoicacid ethyl ester;2-Bromo-2-methylpropionic acid ethyl ester;2-Bromoisobutanoic acid ethyl ester;2-Bromoisobutyric acid ethyl ester;Ethyl2-bromo-2-methylpropanoate;Ethyl 2-bromo-2-methylpropionate;Ethyl2-bromoisobutanoate;Ethyl 2-bromoisobutyrate;Ethyl a-bromo-a-methylpropionate;Ethyl a-bromoisobutyrate;NSC 402034;NSC 9465;a-Bromoisobutyric acid ethyl ester;
Ethyl 2-bromoisobutyrate Specification
The IUPAC name of Ethyl 2-bromoisobutyrate is ethyl 2-bromo-2-methylpropanoate . With the CAS registry number 600-00-0, it is also named as 2-Bromo-2-methylpropanoic acid, ethyl ester ; Ethyl 2-bromo-2-methylpropanoate ; Propionic acid, 2-bromo-2-methyl-, ethyl ester ; alpha-Bromoisobutyric acid, ethyl ester ; 6-Hydroxydopamine bromide . This product can be obtained by the reaction of isobutyric acid and bromine . And then using ethanol esterification resultant.
The Ethyl 2-bromoisobutyrate is colourless to slightly yellow liquid which is soluble in alcohol, ether and insoluble in water. It is toxic. It is flammable by fire. It will produce toxic bromide gas when heating. So the storage environment should be ventilate, low-temperature and dry. Keep Ethyl 2-bromoisobutyrate separate from raw materials of food, oxidant and acid. It is a important pharmaceutical intermediate that can be used in the preparation of lipid-lowering drugs and treatment for atherosclerosis, thrombosis drug.
This product is harmful if swallowed. It is irritating to eyes, respiratory system and skin, especially has serious damage to the eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable gloves and eye/face protection.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.07 ; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): 2.07 ; (4)ACD/LogD (pH 7.4): 2.07 ; (5)ACD/BCF (pH 5.5): 21.9 ; (6)ACD/BCF (pH 7.4): 21.9 ; (7)ACD/KOC (pH 5.5): 317.08 ; (8)ACD/KOC (pH 7.4): 317.08 ; (9)#H bond acceptors: 2 ; (10)#H bond donors: 0 ; (11)#Freely Rotating Bonds: 3 ; (12)Index of Refraction: 1.457 ; (13)Molar Refractivity: 39.31 cm3 ; (14)Molar Volume: 144.2 cm3 ; (15)Polarizability: 15.58×10-24 cm3 ; (16)Surface Tension: 31.8 dyne/cm ; (17)Enthalpy of Vaporization: 40.05 kJ/mol ; (18)Vapour Pressure: 2.01 mmHg at 25°C ; (19)Rotatable Bond Count: 3 ; (20)Exact Mass: 193.994242 ; (21)MonoIsotopic Mass: 193.994242 ; (22)Topological Polar Surface Area: 26.3 ; (23)Heavy Atom Count: 9.
People can use the following data to convert to the molecule structure. SMILES: BrC(C(=O)OCC)(C)C; InChI: InChI=1/C6H11BrO2/c1-4-9-5(8)6(2,3)7/h4H2,1-3H3. Ethyl 2-bromoisobutyrate has many wuppliers, such as Changzhou Chemical Research Institute Co., Ltd., Dob Integrated Corporation Limited, Fuhong Chemical Ltd., Jiangsu Dacheng Pharmaceutical and Chemical Co., Ltd. and Jintan Bailing Chemical Reagent Factory.