Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
2-Amino-5-bromo-3-chloropyrazine |
EINECS | N/A |
CAS No. | 21943-13-5 | Density | 1.961 g/cm3 |
PSA | 51.80000 | LogP | 2.05590 |
Solubility | N/A | Melting Point |
128℃ |
Formula | C4H3BrClN3 | Boiling Point | 271.288 °C at 760 mmHg |
Molecular Weight | 208.445 | Flash Point | 117.871 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-39 | Risk Codes | 41 |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-Amino-5-Bromo-3-Chloropyrazine;5-Bromo-3-chloropyrazin-2-amine;5-bromo-3-chloropyrazin-2-amine; |
Article Data | 8 |
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