| Identification | |
| Name: | Cyclohexanone,2-bromo- |
| CAS: | 822-85-5 |
| Molecular Formula: | C6H9BrO |
| Molecular Weight: | 177.03906 |
| InChI: | InChI=1/C6H9BrO/c7-5-3-1-2-4-6(5)8/h5H,1-4H2 |
| Molecular Structure: |  |
| Properties | |
| Density: | 1.509 g/cm3 |
| Refractive index: | 1.516 |
| Specification: |
The 2-Bromocyclohexanone with the cas number 822-85-5 is also called Cyclohexanone,2-bromo-. The IUPAC name is 2-bromocyclohexan-1-one. Its molecular formula is C6H9BrO. The product's category is API intermediates. The properties of the chemical are: (1)ACD/LogP: 1.20; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 17.07 Å2; (7)Index of Refraction: 1.519; (8)Molar Refractivity: 35.587 cm3; (9)Molar Volume: 117.313 cm3; (10)Polarizability: 14.108×10-24cm3; (11)Surface Tension: 40.9 dyne/cm; (12)Enthalpy of Vaporization: 44.683 kJ/mol; (13)Vapour Pressure: 0.191 mmHg at 25°C. Preparation: This chemical can be prepared by acetic acid cyclohex-1-enyl ester. This reaction needs reagent NaBr, Pb(OAc)4 and solvent methanol at temperature of 0 °C. The reaction time is 10 min. The yield is 82%. Uses: This chemical can prepare cyclohex-2-enone. This reaction needs reagent sodium acetate and glacial acetic acid.
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| Safety Data | |
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