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Name |
Pyrazine,2-chloro-5-nitro- |
EINECS | N/A |
CAS No. | 87885-45-8 | Density | 1.6 g/cm3 |
PSA | 71.60000 | LogP | 1.56140 |
Solubility | N/A | Melting Point |
88-90 °C |
Formula | C4H2ClN3O2 | Boiling Point | 279.2 °C at 760 mmHg |
Molecular Weight | 159.532 | Flash Point | 122.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-Chloro-5-nitropyrazine; |
Article Data | 2 |
The Pyrazine,2-chloro-5-nitro- is an organic compound with the formula C4H2ClN3O2. The systematic name of this chemical is 2-chloro-5-nitropyrazine and the CAS registry number is 87885-45-8. In addition, the molecular weight is 159.53.
The other characteristics of Pyrazine,2-chloro-5-nitro- can be summarized as: (1)ACD/LogP: 0.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.6; (4)ACD/LogD (pH 7.4): 0.6; (5)ACD/BCF (pH 5.5): 1.68; (6)ACD/BCF (pH 7.4): 1.68; (7)ACD/KOC (pH 5.5): 50.44; (8)ACD/KOC (pH 7.4): 50.44; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 71.6 Å2; (13)Index of Refraction: 1.595; (14)Molar Refractivity: 33.87 cm3; (15)Molar Volume: 99.6 cm3; (16)Polarizability: 13.42×10-24cm3; (17)Surface Tension: 68.6 dyne/cm; (18)Density: 1.6 g/cm3; (19)Flash Point: 122.7 °C; (20)Enthalpy of Vaporization: 49.71 kJ/mol; (21)Boiling Point: 279.2 °C at 760 mmHg; (22)Vapour Pressure: 0.0069 mmHg at 25°C.
Uses of Pyrazine,2-chloro-5-nitro-: It can react with 3-amino-propane-1,2-diol to get 2-(2,3-dihydroxypropyl)amino-5-nitropyrazine. This reaction needs reagent triethylamine and solvent propan-2-ol, acetonitrile at ambient temperature. The reaction time is 18 hours. The yield is 79%.
People can use the following data to convert to the molecule structure.
1.SMILES: O=[N+]([O-])c1ncc(Cl)nc1
2.InChI: InChI=1/C4H2ClN3O2/c5-3-1-7-4(2-6-3)8(9)10/h1-2H
3.InChIKey: LONXFNWBWBLJNP-UHFFFAOYAK