125-40-6
Product Name:
BUTABARBITAL
Formula:
C10H16N2O3
Synonyms:
5-Ethyl-5-(1-methylpropyl)-2,4,6(1H,3H,5H)-pyrimidinetrione;Secbutobarbitone
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Solid |
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Color/Form | Fine, white, microcrystalline powder |
Odor | Odorless |
Taste | Bitter |
Melting Point | 166.5 °C |
Solubility | WHITE POWDER; PRACTICALLY INSOL IN BENZENE & ABS ETHER /SODIUM SALT/ |
LogP | 1.65 |
Stability/Shelf Life | Sodium salts of barbiturates dissolve in water, forming alkaline solutions which are often unstable /Sodium salts/ |
Decomposition | When heated to decomp it emits toxic fumes of oxides of /nitric oxide/. |
Refractive Index | INDEX OF REFRACTION: 1.465 (ALPHA); 1.529 (BETA); 1.532 (GAMMA) /SODIUM SALT/ |
Kovats Retention Index | 1669 1634 1630 1634 1660 1655 1655 1637 1650 1660 1635 1662.4 1624 1640 1662 1660 1660 |
Other Experimental Properties | Bitter powder; pH (1% aq soln): from 9.0-10.2; 1 g dissolves in 2 mL water, in about 7 mL alcohol; practically insoluble in ether, benzene /Butabarbital sodium salt/ |
SAFETY INFORMATION
Signal word | Danger |
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Pictogram(s) |
Skull and Crossbones Acute Toxicity GHS06 |
GHS Hazard Statements |
H301:Acute toxicity,oral |
COMPUTED DESCRIPTORS
Molecular Weight | 212.25 g/mol |
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XLogP3 | 1.6 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 3 |
Rotatable Bond Count | 3 |
Exact Mass | 212.11609238 g/mol |
Monoisotopic Mass | 212.11609238 g/mol |
Topological Polar Surface Area | 75.3 Ų |
Heavy Atom Count | 15 |
Formal Charge | 0 |
Complexity | 292 |
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
Butabarbital is a member of barbiturates.