Physical and chemical properties
Appearance and properties: white Nonoxynol 9 Factory to yellow crystalline powder
Density: 1.50
Melting point: 345-350 ° C
Boiling point: Sublimes. 290-295 oc
Flash: 290-295 ° C
The refractive index: 1.737
Water solubility: slightly soluble
Stability: stable atmospheric pressure
Storage conditions: keep container Theobromine Powder closed when not in use. Stored in a cool, dry area away from incompatible substances.
1, molar refraction: 45.05
2, molar volume (cm3 / mol) : 112.0
3, such as a volume (90.2 K) : 319.0
4, surface tension (dyne/cm) : 65.7
5, polarization (10 to 24 cm3) : 17.86
Computational chemistry data
1. The hydrophobic parameter calculation reference (XlogP) : no
2. The number of hydrogen bonding donor: 1
3. The number of hydrogen bonds receptor: 3
4. The number of rotating chemical bonds: 0
5. Number of tautomer: 3
6. Topological molecular polar surface area 67.2
7. Number of heavy atom: 13
8. Surface charge: 0
9. Complexity: 267
10. Number of isotope atoms: 0
11. Determine the atomic number of Heme Iron Polypeptide vertical structure center: 0
12. Not sure if the atomic number of vertical structure center: 0
13. To determine the number of chemical bonds stand structure center: 0
14. The number of uncertain chemical bonds stand structure center: 0
15. The number of covalent bond unit: 1
Synthetic method to broadcast
Formamide (1) will stir heated to 170 ℃, join the amino - 4-5 - methyl amide urea, up to 180-185 ℃, reaction after half an hour to cool and 60 ℃, centrifugal dry, water washing, xanthine. Will dissolve in sodium hydroxide solution, up to 95 ℃, activated carbon, stirring let stand for half an hour and a half hours, filtering. The filtrate drops to the dimethyl sulfate, control pH8.2-8.5, 35 to 38 ℃ reaction, bi, stirring 15 min, cooled to 28 ℃, the pH to 9, let stand for 4 h, dry, water washing, theobromine.
2. By camellia leaves or stalk, cocoa fruit and seed shells, coke's water or ethanol extraction separation after refining.