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SECOBARBITAL

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SECOBARBITAL Basic information

Product Name:
SECOBARBITAL
Synonyms:
  • SECOBARBITAL
  • QUINALBARBITONE
  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-methylbutyl)-5-(2-propenyl)-
  • 2,4,6(1H,3H,5H)-Pyrimidinitrione, 5-(1-methylbutyl)-5-(2-propenyl)-
  • 5-Allyl-5-(1-methylbutyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
  • 5-allyl-5-(1-methylbutyl)barbiturate
  • 5-allyl-5-(1-methylbutyl)-barbituricaci
  • 5-Allyl-5-(1-methylbutyl)malonylurea
CAS:
76-73-3
MF:
C12H18N2O3
MW:
238.28
EINECS:
200-982-2
Product Categories:
  • Amines
  • Heterocycles
  • BarbituratesAlphabetic
  • SA - SMForensic and Veterinary Standards
  • Intermediates & Fine Chemicals
  • Pharmaceuticals
  • Chemical Structure
  • Drugs of Abuse
  • Drugs&Metabolites
  • S
  • Solutions
Mol File:
76-73-3.mol
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SECOBARBITAL Chemical Properties

Melting point:
98°C
Boiling point:
380.88°C (rough estimate)
Density 
1.1343 (rough estimate)
refractive index 
1.4760 (estimate)
Flash point:
11 °C
storage temp. 
2-8°C
solubility 
Chloroform (Slightly), DMSO (Slightly), Ethyl Acetate (Slightly)
pka
7.81±0.10(Predicted)
Water Solubility 
1.728g/L(24 ºC)
EPA Substance Registry System
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-methylbutyl)-5-(2-propen-1-yl)- (76-73-3)
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Safety Information

Hazard Codes 
F,T
Risk Statements 
11-23/24/25-39/23/24/25-36/37/38-25
Safety Statements 
36/37-45-26-16
RIDADR 
UN 1230 3/PG 2
WGK Germany 
2
RTECS 
CP9450000
HazardClass 
6.1(b)
PackingGroup 
III
HS Code 
2933530000
Hazardous Substances Data
76-73-3(Hazardous Substances Data)
Toxicity
A barbiturate sedative-hypnotic with a long half-life, the abuse of which can lead to tolerance and dependence. The oral LD50 in rats is 125 mg/kg.

MSDS

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SECOBARBITAL Usage And Synthesis

Description

Secobarbital (CRM) (Item No. 21707) is a certified reference material categorized as a barbiturate. It extends intoxication and increases withdrawal effects in patients with a family history of alcoholism. Secobarbital is regulated as a Schedule II compound in the United States. Secobarbital (CRM) (Item No. 21707) is provided as a DEA exempt preparation. This product is intended for research and forensic applications.

Uses

Barbiturates are being widely used as antiepileptics, hypnotics, and anesthetics Controlled substance.

Definition

ChEBI: A member of the class of barbiturates that is barbituric acid in which the hydrogens at position 5 are substituted by prop-2-en-1-yl and pentan-2-yl groups.

brand name

Seconal(Lilly);Seconal sodium;Tuinal.

World Health Organization (WHO)

Secobarbital is a short to intermediate-acting barbiturate which is controlled under Schedule III of the 1971 Convention on Psychotropic Substances. See WHO comment for barbiturates. (Reference: (UNCPS3) United Nations Convention on Psychotropic Substances (III), , , 1971)

Purification Methods

It is purified by dissolving the sodium salt [309-43-3] in 10% HCl which precipitates the acid form that is extracted into Et2O. The extract is dried (Na2SO4) and evaporated. The residue is then purified by repeated crystallisation from CHCl3. [Buchet & Sandorfy J Phys Chem 88 3274 1984, Beilstein 24 III/IV 2013.]

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