5217-47-0

Name 1,3-DIETHYL-2-THIOBARBITURIC ACID
CAS 5217-47-0
EINECS(EC#) 226-010-7
Molecular Formula C8H12N2O2S
MDL Number MFCD00006676
Molecular Weight 200.26
MOL File 5217-47-0.mol
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Chemical Properties

Appearance off-white powder
Melting point  109-112 °C (lit.)
Boiling point  273.4±23.0 °C(Predicted)
density  1.29±0.1 g/cm3(Predicted)
storage temp.  Hormones
solubility  1 M NaOH: soluble50mg/mL, clear, colorless to light yellow
pka 5.48±0.20(Predicted)
InChI 1S/C8H12N2O2S/c1-3-9-6(11)5-7(12)10(4-2)8(9)13/h3-5H2,1-2H3
InChIKey SHBTUGJAKBRBBJ-UHFFFAOYSA-N
SMILES CCN1C(=O)CC(=O)N(CC)C1=S
CAS DataBase Reference 5217-47-0(CAS DataBase Reference)
EPA Substance Registry System 5217-47-0(EPA Substance)

Safety Data

Hazard Codes  T
Risk Statements 
Safety Statements 
S24/25:Avoid contact with skin and eyes .
RIDADR  UN 2811 6.1 / PGIII
WGK Germany  3
TSCA  TSCA listed
HS Code  29335400
Storage Class 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
Hazard Classifications Acute Tox. 3 Oral
Skin Sens. 1

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