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| CAS No.: | 76537-18-3 |
|---|---|
| Name: | 2-Amino-3-bromo-5-chloropyrazine |
| Article Data: | 8 |
| Molecular Structure: | |
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| Formula: | C4H3BrClN3 |
| Molecular Weight: | 208.445 |
| Synonyms: | Pyrazinamine,3-bromo-5-chloro- (9CI);(3-Bromo-5-chloropyrazin-2-yl)amine;2-Amino-3-bromo-5-chloropyrazine;3-Bromo-5-chloro-2-aminopyrazine;3-bromo-5-chloropyrazin-2-amine;2-pyrazinamine, 3-bromo-5-chloro-;2-Amino-3-bromo-5-chloropyrazine; |
| Density: | 1.961 g/cm3 |
| Boiling Point: | 298.417 °C at 760 mmHg |
| Flash Point: | 134.278 °C |
| PSA: | 51.80000 |
| LogP: | 2.05590 |
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Specification
The 2-Amino-3-bromo-5-chloropyrazine, with the CAS registry number 76537-18-3, has the systematic name of 3-bromo-5-chloropyrazin-2-amine. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C4H3BrClN3.
The characteristics of 2-Amino-3-bromo-5-chloropyrazine are as followings: (1)ACD/LogP: 2.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 77; (6)ACD/BCF (pH 7.4): 77; (7)ACD/KOC (pH 5.5): 781; (8)ACD/KOC (pH 7.4): 781; (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: 1.66; (14)Molar Refractivity: 39.257 cm3; (15)Molar Volume: 106.297 cm3; (16)Polarizability: 15.563×10-24cm3; (17)Surface Tension: 70.277 dyne/cm; (18)Density: 1.961 g/cm3; (19)Flash Point: 134.278 °C; (20)Enthalpy of Vaporization: 53.834 kJ/mol; (21)Boiling Point: 298.417 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.
Preparation of 2-Amino-3-bromo-5-chloropyrazine: This chemical can be prepared by 5-chloro-pyrazin-2-ylamine. The reaction will need reagent Br2 and pyridine, and the menstruum CHCl3. The reaction time is 0.5 hours with ambient temperature, and the yield is about 74%.
Uses of 2-Amino-3-bromo-5-chloropyrazine: It can react with methanol; sodium salt to produce 5-chloro-3-methoxy-pyrazin-2-ylamine. This reaction will need reagent methanol. The reaction time is 6 hours with heating, and the yield is about 95%.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc1nc(Br)c(nc1)N
(2)InChI: InChI=1/C4H3BrClN3/c5-3-4(7)8-1-2(6)9-3/h1H,(H2,7,8)
(3)InChIKey: ACFBUXHJONGLLF-UHFFFAOYAG