CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Color/Form | White crystals from water |
| Taste | Tasteless |
| Melting Point | 176 °C |
| Solubility | Slightly soluble |
| LogP | 1.84 |
| Stability/Shelf Life | Mephobarbital tablets should be store in well-closed containers at a temperature less than 40 °C, preferably between 15-30 °C. Commercially available mephobarbital tablets have an expiration date of 5 years following the date of manufacture. |
| Decomposition | When heated to decomposition it emits toxic /nitrogen oxide/. |
| Dissociation Constants | 7.8 |
| Kovats Retention Index | 1898 1869 1869 1895 1895 1883 1888 1875 1880 1875 1890 1885 1890 1890 1890 1874 1904.7 1904.7 1865.3 1876 1885 1895 1891 1885 1885 |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Flame Flammables GHS02  Skull and Crossbones Acute Toxicity GHS06  Health Hazard GHS08 |
| GHS Hazard Statements |
H225:Flammable liquids H370:Specific target organ toxicity, single exposure |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P280:Wear protective gloves/protective clothing/eye protection/face protection. |
COMPUTED DESCRIPTORS
| Molecular Weight | 246.26 g/mol |
|---|---|
| XLogP3 | 1.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 246.10044231 g/mol |
| Monoisotopic Mass | 246.10044231 g/mol |
| Topological Polar Surface Area | 66.5 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 388 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Mephobarbital is a member of the class of barbiturates, the structure of which is that of barbituric acid substituted at N-1 by a methyl group and at C-5 by ethyl and phenyl groups. It has a role as an anticonvulsant.