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BARBITAL Structure

BARBITAL

Chemical Properties

Melting point 188-192°C
Boiling point 318.14°C (rough estimate)
Density  1.2200
refractive index  1.4200 (estimate)
Flash point 11 °C
storage temp.  2-8°C
solubility  DMSO (Slightly), Methanol (Slightly)
form  Solid
pka 7.43(at 25℃)
color  Faintly bitter crystals from H2O; polymorphicforms; triagonal crystals, monoclinic prisms, monoclinicneedles, and triclinic cryst
Water Solubility  7.149g/L(25 ºC)
Merck  13,965
Major Application forensics and toxicology
pharmaceutical (small molecule)
veterinary
InChI 1S/C8H12N2O3/c1-3-8(4-2)5(11)9-7(13)10-6(8)12/h3-4H2,1-2H3,(H2,9,10,11,12,13)
InChIKey FTOAOBMCPZCFFF-UHFFFAOYSA-N
SMILES CCC1(CC)C(=O)NC(=O)NC1=O
EPA Substance Registry System 5,5-Diethylbarbituric acid (57-44-3)

Safety Information

Hazard Codes  Xn,T,F
Risk Statements  22-39/23/24/25-23/24/25-11-63-40-20
Safety Statements  36-45-36/37-16-7
RIDADR  UN 1230 3/PG 2
WGK Germany  3
RTECS  CQ3500000
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
Toxicity LDLo orl-cat: 280 mg/kg PHREA7 19,472,39
DEA Controlled Substances CSCN: 2145
CSA SCH: Schedule IV
NARC: No

MSDS

Usage And Synthesis

Preparation Products And Raw materials