161950

1,3-Diethyl-2-thiobarbitursäure

99%

• Synonym(e): 1,3-Diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione, 1,3-Diethyldihydro-2-thioxo-4,6(1H,5H)-pyrimidinedione, 1,3-Diethylthiobarbituric acid, N,N′-Diethyl-2-thiobarbituric acid
• Empirische Formel (Hill-System): C₈H₁₂N₂O₂S
• CAS-Nummer: 5217-47-0
• Molekulargewicht: 200.26
• EG-Nummer: 226-010-7
• MDL-Nummer: MFCD00006676
• UNSPSC-Code: 12352100
• PubChem Substanz-ID: 24849962
• NACRES: NA.22

Eigenschaften

• Assay: 99%
• Arzneimittelkontrolle: regulated under CDSA - not available from Sigma-Aldrich Canada
• mp (Schmelzpunkt): 109-112 °C (lit.)
• Löslichkeit: 1 M NaOH: soluble 50 mg/mL, clear, colorless to light yellow
• SMILES String: CCN1C(=O)CC(=O)N(CC)C1=S
• 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

Beschreibung

Anwendung

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

Sicherheitshinweise

• Piktogramme: GHS06
• Signalwort: Danger
• H-Sätze: H301,H317
• P-Sätze: P280 - P301 + P310 + P330 - P302 + P352
• Gefahreneinstufungen: Acute Tox. 3 Oral - Skin Sens. 1
• Lagerklassenschlüssel: 6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• WGK: WGK 3
• Flammpunkt (°F): Not applicable
• Flammpunkt (°C): Not applicable