CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Phenobarbital appears as odorless white crystalline powder or colorless crystals. A saturated aqueous solution is acid to litmus (approximately pH 5). Slightly bitter taste. (NTP, 1992) |
|---|---|
| Color/Form | Crystals (3 different phases) |
| Odor | Odorless |
| Taste | Slightly bitter taste |
| Melting Point | 345 to 352 °F (NTP, 1992) |
| Flash Point | 345 °F (NTP, 1992) |
| Solubility | >34.8 [ug/mL] (The mean of the results at pH 7.4) |
| LogP | 1.47 |
| Stability/Shelf Life | Aqueous solutions of "phenobarbital" sodium are not generally stable. The drug is more stable in polyethylene glycol or propylene glycol. |
| Decomposition | When heated to decomposition it emits toxic fumes of /nitrogen oxides/. |
| pH | Saturated soln in water has a pH of about 5 |
| Refractive Index | INDICES OF REFRACTION: 1.557 (ALPHA), 1.620 (BETA), 1.667 (GAMMA) |
| Dissociation Constants | 7.3 |
| Kovats Retention Index | 1944 1924 1928 1921.5 1928 1975 1965 1965 1965 1965 1965 1931 1932 1937 1995 1938 1939 1934 1990 1955 1950 1955 1955 1960 1970 1975 1934 1956 1960.9 1919.5 1957 1926 1957 1980 1922 1924 1928 1950 1935 1957 1941.2 1950 1950 1954 1955 1964 1950 1975 1975 |
| Other Experimental Properties | Flaky crystals, white, crystalline granules, or a white powder. The drug is odorless, has a bitter taste, and is hygroscopic. Phenobarbital is very soluble in water, freely soluble in propylene glycol. |
COMPUTED DESCRIPTORS
| Molecular Weight | 232.23 g/mol |
|---|---|
| XLogP3 | 1.5 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 232.08479225 g/mol |
| Monoisotopic Mass | 232.08479225 g/mol |
| Topological Polar Surface Area | 75.3 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 339 |
| 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
Phenobarbital appears as odorless white crystalline powder or colorless crystals. A saturated aqueous solution is acid to litmus (approximately pH 5). Slightly bitter taste. (NTP, 1992)