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| CAS No.: | 663193-80-4 |
|---|---|
| Name: | 4-AMINO-5-BROMO-6-CHLOROPYRIMIDINE |
| Molecular Structure: | |
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| Formula: | C4H3BrClN3 |
| Molecular Weight: | 208.445 |
| Synonyms: | 4-Amino-5-bromo-6-chloropyrimidine; |
| Density: | 1.96 g/cm3 |
| Boiling Point: | 333.1 °C at 760 mmHg |
| Flash Point: | 155.3 °C |
| Risk Codes: | 41 |
| Safety: | 26-39 |
| PSA: | 51.80000 |
| LogP: | 2.05590 |
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Specification
The 4-Pyrimidinamine,5-bromo-6-chloro-, with the CAS registry number 663193-80-4, is also known as 4-Amino-5-bromo-6-chloropyrimidine. This chemical's molecular formula is C4H3BrClN3 and molecular weight is 208.44. Its systematic name is called 5-Bromo-6-chloropyrimidin-4-amine.
Physical properties of 4-Pyrimidinamine,5-bromo-6-chloro-: (1)ACD/LogP: 2.23; (2)ACD/LogD (pH 5.5): 2.23; (3)ACD/LogD (pH 7.4): 2.23; (4)ACD/BCF (pH 5.5): 28.93; (5)ACD/BCF (pH 7.4): 28.93; (6)ACD/KOC (pH 5.5): 386.9; (7)ACD/KOC (pH 7.4): 386.9; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)Index of Refraction: 1.66; (11)Molar Refractivity: 39.25 cm3; (12)Molar Volume: 106.2 cm3; (13)Surface Tension: 70.2 dyne/cm; (14)Density: 1.96 g/cm3; (15)Flash Point: 155.3 °C; (16)Enthalpy of Vaporization: 57.6 kJ/mol; (17)Boiling Point: 333.1 °C at 760 mmHg; (18)Vapour Pressure: 0.000139 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1nc(c(c(n1)Cl)Br)N
(2)InChI: InChI=1/C4H3BrClN3/c5-2-3(6)8-1-9-4(2)7/h1H,(H2,7,8,9)
(3)InChIKey: DQSBRYJETNYGCI-UHFFFAOYAN