CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Liquid or solid with a penetrating odor; mp = 20-22 deg C; [Merck Index] Clear, slightly brownish-yellow liquid; Hygroscopic; mp = 19 deg C; [Aldrich MSDS] |
|---|---|
| Melting Point | 22 °C |
| Solubility | 1000 mg/mL at 25 °C |
| Vapor Pressure | 12.9 [mmHg] |
| LogP | -0.40 |
| Kovats Retention Index | 718.4 728 744 744 744 702 |
| Chemical Classes | Nitrogen Compounds -> Pyrimidines |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Flame Flammables GHS02 |
| GHS Hazard Statements |
H226:Flammable liquids |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P233:Keep container tightly closed. P240:Ground/bond container and receiving equipment. P241:Use explosion-proof electrical/ventilating/lighting/…/equipment. P242:Use only non-sparking tools. P243:Take precautionary measures against static discharge. |
COMPUTED DESCRIPTORS
| Molecular Weight | 80.09 g/mol |
|---|---|
| XLogP3 | -0.4 |
| 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 | 32.5 |
| 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
Pyrimidine is the parent compound of the pyrimidines; a diazine having the two nitrogens at the 1- and 3-positions. It has a role as a Daphnia magna metabolite. It is a member of pyrimidines and a diazine.