CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid with a strong odor like pyridine; [Merck Index] White crystalline solid with a strong odor; [Alfa Aesar MSDS] |
|---|---|
| Boiling Point | 115.00 to 116.00 °C. @ 760.00 mm Hg |
| Melting Point | 54 - 56 °C |
| Solubility | freely soluble in water, organic solvents |
| LogP | -0.26 |
| Ionization Efficiency | Positive |
| Kovats Retention Index | 711 707 707 707 710 702 734 706 710.3 710.6 713.1 710 703 738 713 722 722 722 704 706 696 718 718 712 718 721 715 740 739 731 696 701 709 714 711 722 710 723 711 706 716 706 710 712 714 718 710 739 710 710 708 710 718 710 724.9 705.6 |
| Chemical Classes | Nitrogen Compounds -> Pyrazines |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Flame Flammables GHS02 |
| GHS Hazard Statements |
H228:Flammable solids |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P240:Ground/bond container and receiving equipment. P241:Use explosion-proof electrical/ventilating/lighting/…/equipment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P370+P378:In case of fire: Use … for extinction. |
COMPUTED DESCRIPTORS
| Molecular Weight | 80.09 g/mol |
|---|---|
| XLogP3 | -0.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 80.037448136 g/mol |
| Monoisotopic Mass | 80.037448136 g/mol |
| Topological Polar Surface Area | 25.8 Ų |
| Heavy Atom Count | 6 |
| Formal Charge | 0 |
| Complexity | 26.5 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Pyrazine is a diazine that is benzene in which the carbon atoms at positions 1 and 4 have been replaced by nitrogen atoms. It has a role as a Daphnia magna metabolite. It is a member of pyrazines and a diazine.