2,4-DIBROMO-2,4-DIMETHYL-3-PENTANONE

The 3-Pentanone,2,4-dibromo-2,4-dimethyl-, with the CAS registry number 17346-16-6, is also known as 2,4-Dibromo-2,4-dimethyl-3-pentanone. It belongs to the product categories of C₇ to C₈; Carbonyl Compounds; Ketones. This chemical's molecular formula is C₇H₁₂Br₂O and molecular weight is 271.98. What's more, its systematic name is 2,4-dibromo-2,4-dimethylpentan-3-one. It is stable at common pressure and temperature, and it should be sealed and stored in a cool, ventilated and dry place. Moreover, it should be protected from oxides.

Physical properties of 3-Pentanone,2,4-dibromo-2,4-dimethyl- are: (1)ACD/LogP: 3.12; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 17.07 Å²; (7)Index of Refraction: 1.507; (8)Molar Refractivity: 49.9 cm³; (9)Molar Volume: 167.6 cm³; (10)Polarizability: 19.78×10^-24cm³; (11)Surface Tension: 35.8 dyne/cm; (12)Density: 1.622 g/cm³; (13)Flash Point: 72.8 °C; (14)Enthalpy of Vaporization: 44.24 kJ/mol; (15)Boiling Point: 206.1 °C at 760 mmHg; (16)Vapour Pressure: 0.241 mmHg at 25°C.

Uses of 3-Pentanone,2,4-dibromo-2,4-dimethyl-: it can be used to produce tetramethyl-thietan-3-one at the ambient temperature. It will need reagent NaSH and solvent methanol. The yield is about 67%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. You must take off immediately all contaminated clothing. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)(C(=O)C(C)(C)Br)Br
(2)InChI: InChI=1S/C7H12Br2O/c1-6(2,8)5(10)7(3,4)9/h1-4H3
(3)InChIKey: SWSOAIMZWLDPST-UHFFFAOYSA-N