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CAS No.: | 21943-13-5 |
---|---|
Name: | 2-Amino-5-bromo-3-chloropyrazine |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C4H3BrClN3 |
Molecular Weight: | 208.445 |
Synonyms: | 2-Amino-5-Bromo-3-Chloropyrazine;5-Bromo-3-chloropyrazin-2-amine;5-bromo-3-chloropyrazin-2-amine; |
Density: | 1.961 g/cm3 |
Melting Point: | 128℃ |
Boiling Point: | 271.288 °C at 760 mmHg |
Flash Point: | 117.871 °C |
Risk Codes: | 41 |
Safety: | 26-39 |
PSA: | 51.80000 |
LogP: | 2.05590 |
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This product is an organic compound with the formula C4H3BrClN3. The systematic name of this chemical is 2-Amino-5-bromo-3-chloropyrazine. With the CAS registry number 21943-13-2, it is also named as 2-pyrazinamine, 5-bromo-3-chloro-.
The other characteristics of 2-Amino-5-bromo-3-chloropyrazine can be summarized as: (1)ACD/LogP: 2.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.177; (4)ACD/LogD (pH 7.4): 2.177; (5)ACD/BCF (pH 5.5): 26.574; (6)ACD/BCF (pH 7.4): 26.574; (7)ACD/KOC (pH 5.5): 364.115; (8)ACD/KOC (pH 7.4): 364.122; (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 Molar; (14)Refractivity: 39.257 cm3; (15)Molar Volume: 106.297 cm3; (16)Polarizability: 15.563×10-24 cm3; (17)Surface Tension: 70.277 dyne/cm; (18)Density: 1.961 g/cm3; (19)Flash Point: 117.871 °C; (20)Enthalpy of Vaporization: 50.951 kJ/mol; (21)Boiling Point: 271.288 °C at 760 mmHg; (22)Vapour Pressure: 0.007 mmHg at 25°C.
People can use the following data to convert to the molecule structure.
1. SMILES:c1c(nc(c(n1)N)Cl)Br
2. InChI:InChI=1/C4H3BrClN3/c5-2-1-8-4(7)3(6)9-2/h1H,(H2,7,8)
3. InChIKey:RLBJPMURTWCBMZ-UHFFFAOYAU
4. Std. InChI:InChI=1S/C4H3BrClN3/c5-2-1-8-4(7)3(6)9-2/h1H,(H2,7,8)
5. Std. InChIKey:RLBJPMURTWCBMZ-UHFFFAOYSA-N