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| CAS No.: | 815-60-1 |
|---|---|
| Name: | 2,4-DIBROMO-3-PENTANONE |
| Article Data: | 1 |
| Molecular Structure: | |
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| Formula: | C5H8Br2O |
| Molecular Weight: | 243.926 |
| Synonyms: | 1,3-Dibromo-1,3-dimethylpropanone;2,4-Bromopentan-3-one;2,4-Dibromo-3-pentanone;2,4-Dibromopentanone;a,a'-Dibromo-3-pentanone; |
| Density: | 1.803 g/cm3 |
| Boiling Point: | 231.702 °C at 760 mmHg |
| Flash Point: | 85.458 °C |
| Solubility: | Slightly soluble in water(50 g/L (20°C). |
| Hazard Symbols: | Xn |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 17.07000 |
| LogP: | 2.12230 |
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Specification
The 3-Pentanone,2,4-dibromo-, with the CAS registry number 815-60-1, is also known as 2,4-Dibromo-3-pentanone. It belongs to the product categories of C3 to C6; Carbonyl Compounds; Ketones. This chemical's molecular formula is C5H8Br2O and molecular weight is 243.92. Its systematic name is called 2,4-dibromopentan-3-one.
Physical properties of 3-Pentanone,2,4-dibromo-: (1)ACD/LogP: 2.13; (2)#H bond acceptors: 1; (3)#Freely Rotating Bonds: 2; (4)Index of Refraction: 1.512; (5)Molar Refractivity: 40.624 cm3; (6)Molar Volume: 135.306 cm3; (7)Surface Tension: 37.66 dyne/cm; (8)Density: 1.803 g/cm3; (9)Flash Point: 85.458 °C; (10)Enthalpy of Vaporization: 46.837 kJ/mol; (11)Boiling Point: 231.702 °C at 760 mmHg; (12)Vapour Pressure: 0.061 mmHg at 25°C.
Preparation of 3-Pentanone,2,4-dibromo-: this chemical can be prepared by pentan-3-one. This reaction is a kind of Bromination. It will need reagents Br2 and PBr3. The reaction time is 16 hours with reaction temperature of 5 - 10 °C. The yield is about 89.9%.
Uses of 3-Pentanone,2,4-dibromo-: it can be used to produce 1-methoxy-2,3-dimethylcyclopropanol with methanol at temperature of -10 °C. This reaction will need reagent TEABr and solvent acetonitrile. The yield is about 50%.
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. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: BrC(C(=O)C(Br)C)C
(2)InChI: InChI=1/C5H8Br2O/c1-3(6)5(8)4(2)7/h3-4H,1-2H3
(3)InChIKey: UOPIOAUZQKSZRO-UHFFFAOYAT