1,3-DIETHYL-2-THIOBARBITURIC ACID Chemical Properties

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)

Appearance

White to off-white Solid

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

1,3-Diethyl-2-thiobarbituric acid (5217-47-0)

Safety Information

Hazard Codes 

T

Risk Statements 

25-43

Safety Statements 

24/25-22-45-36/37

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

MSDS

• Language:English Provider:ACROS
• Language:English Provider:SigmaAldrich

1,3-DIETHYL-2-THIOBARBITURIC ACID Usage And Synthesis

Chemical Properties

off-white powder

Uses

1,3-Diethyl-2-thiobarbituric acid (DETBA) was used as coinitiator during the photopolymerization of dental materials. It was used as reagent in electrochemical oxidation of 3,4-dihydroxybenzoic acid to yield benzofuro[2,3-d]pyrimidine derivatives. It was used in DETBA assay for determination of nicotine metabolites in human urine by HPLC.

1,3-DIETHYL-2-THIOBARBITURIC ACID(5217-47-0)Related Product Information

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• 1,3-DIETHYL-5-(3-[(Z)-(3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE)METHYL]CYCLOHEX-2-EN-1-YLIDENE)-2-THIOXODIHYDROPYRIMIDINE-4,6(1H,5H)-DIONE
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• 1,3-DIETHYL-5-[7-([3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE]METHYL)-4,4A,5,6-TETRAHYDRO-2(3H)-NAPHTHALENYLIDENE]-2-THIOXODIHYDRO-4,6(1H,5H)-PYRIMIDINEDIONE
• 5-((1-(BIPHENYL-4-YL)-2,5-DIMETHYL-1H-PYRROL-3-YL)METHYLENE)-1,3-DIETHYL-2-THIOXO-DIHYDROPYRIMIDINE-4,6(1H,5H)-DIONE