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125-40-6

125-40-6 structural image
Product Name: BUTABARBITAL
Formula: C10H16N2O3
Synonyms: 5-Ethyl-5-(1-methylpropyl)-2,4,6(1H,3H,5H)-pyrimidinetrione;Secbutobarbitone
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
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
Pictogram(s)

Skull and Crossbones
Acute Toxicity
GHS06
GHS Hazard Statements H301:Acute toxicity,oral

COMPUTED DESCRIPTORS

Molecular Weight 212.25 g/mol
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.