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| CAS No.: | 7781-26-2 |
|---|---|
| Name: | 5-BROMO-4,6-DICHLOROPYRIMIDIN-2-AMINE |
| Article Data: | 6 |
| Molecular Structure: | |
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| Formula: | C4H2BrCl2N3 |
| Molecular Weight: | 242.89 |
| Synonyms: | Pyrimidine,2-amino-5-bromo-4,6-dichloro- (6CI,7CI,8CI);2-Amino-5-bromo-4,6-dichloropyrimidine;5-bromo-4,6-dichloropyrimidin-2-amine;2-pyrimidinamine, 5-bromo-4,6-dichloro-;5-Bromo-4,6-dichloropyrimidin-2-amine;2-Amino-5-bromo-4,6-dichloropyrimidine;5-bromo-4,6-dichloropyrimidine-2-ylamine;Pyrimidine, 2-amino-5-bromo-4,6-dichloro-; |
| Density: | 2.054 g/cm3 |
| Boiling Point: | 419.434 °C at 760 mmHg |
| Flash Point: | 207.467 °C |
| Hazard Symbols: | Xi |
| PSA: | 51.80000 |
| LogP: | 2.70930 |
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Specification
The 2-Pyrimidinamine,5-bromo-4,6-dichloro-, with the CAS registry number 7781-26-2, has the systematic name and IUPAC name of 5-bromo-4,6-dichloropyrimidin-2-amine. It belongs to the following product categories: Halides; Pyrazines, Pyrimidines & Pyridazines; Pyrazines, Pyrimidines & Pyridazines. And the molecular formula of the chemical is C4H2BrCl2N3.
The characteristics of 2-Pyrimidinamine,5-bromo-4,6-dichloro- are as followings: (1)ACD/LogP: 1.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.878; (4)ACD/LogD (pH 7.4): 1.878; (5)ACD/BCF (pH 5.5): 15.752; (6)ACD/BCF (pH 7.4): 15.752; (7)ACD/KOC (pH 5.5): 250.424; (8)ACD/KOC (pH 7.4): 250.424; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 51.8 Å2; (13)Index of Refraction: 1.67; (14)Molar Refractivity: 44.152 cm3; (15)Molar Volume: 118.247 cm3; (16)Polarizability: 17.503×10-24cm3; (17)Surface Tension: 71.323 dyne/cm; (18)Density: 2.054 g/cm3; (19)Flash Point: 207.467 °C; (20)Enthalpy of Vaporization: 67.314 kJ/mol; (21)Boiling Point: 419.434 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1(c(nc(nc1Cl)N)Cl)Br
(2)InChI: InChI=1/C4H2BrCl2N3/c5-1-2(6)9-4(8)10-3(1)7/h(H2,8,9,10)
(3)InChIKey: LAUORAFVFXRKDL-UHFFFAOYAK