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| CAS No.: | 19752-61-5 |
|---|---|
| Name: | 2,4-DI-(TERT-BUTOXY)-5-BROMOPYRIMIDINE |
| Molecular Structure: | |
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| Formula: | C12H19BrN2O2 |
| Molecular Weight: | 303.20 |
| Synonyms: | Pyrimidine,5-bromo-2,4-di-tert-butoxy- (8CI);5-Bromo-2,4-bis(tert-butoxy)pyrimidine;5-Bromo-2,4-di-tert-butoxypyrimidine;5-Bromo-2,4-di-tert-butoxypyrimidine; |
| Density: | 1.267 g/cm3 |
| Melting Point: | 58-61 °C |
| Boiling Point: | 352 °C at 760 mmHg |
| Flash Point: | 166.7 °C |
| PSA: | 44.24000 |
| LogP: | 3.59370 |
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Specification
The Pyrimidine, 5-bromo-2, 4-bis(1, 1-dimethylethoxy)-, with the CAS registry number 19752-61-5, is also known as 2, 4-Di-(tert-butoxy)-5-bromopyrimidine. It belongs to the product category of Pyrimidines. This chemical's molecular formula is C12H19BrN2O2 and molecular weight is 303.20. What's more, its systematic name is 5-Bromo-2, 4-di-tert-butoxypyrimidine. In addition, it must be stored in airtight containers and placed in a dry, cool place. Meanwhile, it should be kept away from oxidant.
Physical properties about Pyrimidine, 5-bromo-2, 4-bis(1, 1-dimethylethoxy)- are: (1)ACD/LogP: 4.10; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 44.24 Å2; (7)Index of Refraction: 1.507; (8)Molar Refractivity: 71.21 cm3; (9)Molar Volume: 239.2 cm3; (10)Polarizability: 28.23×10-24 cm3; (11)Surface Tension: 36.5 dyne/cm; (12)Density: 1.267 g/cm3; (13)Flash Point: 166.7 °C; (14)Enthalpy of Vaporization: 57.32 kJ/mol; (15)Boiling Point: 352 °C at 760 mmHg; (16)Vapour Pressure: 8.05E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Brc1cnc(OC(C)(C)C)nc1OC(C)(C)C
(2) InChI: InChI=1/C12H19BrN2O2/c1-11(2,3)16-9-8(13)7-14-10(15-9)17-12(4,5)6/h7H,1-6H3
(3) InChIKey: MAWUVEDTRZARNC-UHFFFAOYAM