Insoluble in water, soluble in ethanol, diethyl ether
163.999 °C at 760 mmHg
UN 1993 3/PG 3
slightly yellow transparent liquid
Aceticacid, bromo-, 1,1-dimethylethyl ester (9CI);Acetic acid, bromo-, tert-butylester (6CI,7CI,8CI);1,1-Dimethylethyl 2-bromoacetate;1,1-Dimethylethylbromoacetate;1,1-Dimethylethyl monobromoacetate;2-Bromoacetic acid tert-butylester;Bromoacetic acid 1,1-dimethylethyl ester;Bromoacetic acid tert-butylester;NSC 82470;tert-Butyl 2-bromoacetate;tert-Butyl a-bromoacetate;
tert-Butyl bromoacetate Specification
The tert-Butyl bromoacetate, with the CAS registry number 5292-43-3, is also known as Bromoacetic acid tert-butyl ester. It belongs to the product categories of Acid based bromo compounds; C6 to C7; Carbonyl Compounds; Esters; Organic chemical; Building Blocks; C6 to C7; Carbonyl Compounds; Chemical Synthesis; Organic Building Blocks. Its EINECS number is 226-133-6. This chemical's molecular formula is C6H11BrO2 and molecular weight is 195.05. What's more, its systematic name is 2-Methyl-2-propanyl bromoacetate. This chemical should be sealed and stored in a cool and ventilated place. Moreover, it should be protected from oxides, heat and fire. It is used in organic synthesis.
Physical properties of tert-Butyl bromoacetate are: (1)ACD/LogP: 2.003; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.00; (4)ACD/LogD (pH 7.4): 2.00; (5)ACD/BCF (pH 5.5): 19.61; (6)ACD/BCF (pH 7.4): 19.61; (7)ACD/KOC (pH 5.5): 292.94; (8)ACD/KOC (pH 7.4): 292.94; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.457; (14)Molar Refractivity: 39.318 cm3; (15)Molar Volume: 144.288 cm3; (16)Polarizability: 15.587×10-24cm3; (17)Surface Tension: 31.9 dyne/cm; (18)Density: 1.352 g/cm3; (19)Flash Point: 59.101 °C; (20)Enthalpy of Vaporization: 40.053 kJ/mol; (21)Boiling Point: 163.999 °C at 760 mmHg; (22)Vapour Pressure: 2.0 mmHg at 25°C.
Preparation of tert-Butyl bromoacetate: this chemical can be prepared by bromoacetic acid and 2-methyl-propene. This reaction will need reagent Amberlyst-15 and solvent CHCl3. The yield is about 86%.
Uses of tert-Butyl bromoacetate: it can be used to produce (2-oxo-4-vinyl-azetidin-1-yl)-acetic acid tert-butyl ester. It will need reagent KOH and solvents tetrahydrofuran, dimethylformamide with the reaction time of 16 hours. The yield is about 80%.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. It is flammable, so you should keep it away from sources of ignition - No smoking. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you must avoid contact with skin and eyes.
You can still convert the following datas into molecular structure:
(2)Std. InChI: InChI=1S/C6H11BrO2/c1-6(2,3)9-5(8)4-7/h4H2,1-3H3
(3)Std. InChIKey: BNWCETAHAJSBFG-UHFFFAOYSA-N