CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Melting Point | 146.5 °C |
| Solubility | 435 mg/L (at 25 °C) |
| LogP | 1.98 |
| LogS | -2.74 |
| Dissociation Constants | 8.2 |
| Kovats Retention Index | 1862 1817 1831 1831 1850 1855 1841 1843 1870 1860 1855 1860 1860 1870 1870 1870 1820 1839 1845 1860 1857 1840 1850 1851 1853 1860 1850 1850 |
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. P260:Do not breathe dust/fume/gas/mist/vapours/spray. P280:Wear protective gloves/protective clothing/eye protection/face protection. P311:Call a POISON CENTER or doctor/physician. P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. |
COMPUTED DESCRIPTORS
| Molecular Weight | 236.27 g/mol |
|---|---|
| XLogP3 | 1.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 236.11609238 g/mol |
| Monoisotopic Mass | 236.11609238 g/mol |
| Topological Polar Surface Area | 66.5 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 428 |
| 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
Hexobarbital is a member of the class of barbiturates taht is barbituric acid substituted at N-1 by methyl and at C-5 by methyl and cyclohex-1-enyl groups. It is functionally related to a barbituric acid.