161950

1,3-Diethyl-2-thiobarbituric acid

99%

• Sinónimos: 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
• Fórmula empírica (notación de Hill): C₈H₁₂N₂O₂S
• Número de CAS: 5217-47-0
• Peso molecular: 200.26
• EC Number: 226-010-7
• MDL number: MFCD00006676
• UNSPSC Code: 12352100
• PubChem Substance ID: 24849962
• NACRES: NA.22

Propiedades

• Quality Level: 100
• assay: 99%
• drug control: regulated under CDSA - not available from Sigma-Aldrich Canada
• mp: 109-112 °C (lit.)
• solubility: 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
• InChI key: SHBTUGJAKBRBBJ-UHFFFAOYSA-N

Descripción

Application

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.

Información de seguridad

• pictograms: GHS06
• signalword: Danger
• hcodes: H301,H317
• pcodes: P280 - P301 + P310 + P330 - P302 + P352
• Hazard Classifications: Acute Tox. 3 Oral - Skin Sens. 1
• Storage Class: 6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable