ChemicalBook--->CAS DataBase List--->5217-47-0

5217-47-0

5217-47-0 Structure

5217-47-0 Structure
IdentificationMore
[Name]

1,3-DIETHYL-2-THIOBARBITURIC ACID
[CAS]

5217-47-0
[Synonyms]

1,3-DIETHYL-2-THIOBARBITURIC ACID
LABOTEST-BB LT00053456
THIOBARBITAL
5h)-pyrimidinedione,1,3-diethyldihydro-2-thioxo-6(1h
1,3-diethyldihydro-2-thioxopyrimidine-4,6(1H,5H)-dione
1-3-DIETHYL-2-THIOBARBITURIC ACID*CRYSTA LLINE
1,3-Diethylthiobarbituric acid.
1,3-DIETHYL-2-THIOBARBITURIC ACID 99%
1,2-Dihydro-1,3-diethyl-2-thioxopyrimidine-4,6(3H,5H)-dione
1,3-Diethyl-2-thioxo-1,2-dihydropyrimidine-4,6(3H,5H)-dione
1,3-Diethyl-2-thioxo-2,3-dihydro-4,6(1H,5H)-pyrimidinedione
1,3-Diethyl-2-thioxo-2,3-dihydropyrimidine-4,6(1H,5H)-dione
2-Thioxo-1,3-diethylhexahydropyrimidine-4,6-dione
[EINECS(EC#)]

226-010-7
[Molecular Formula]

C8H12N2O2S
[MDL Number]

MFCD00006676
[Molecular Weight]

200.26
[MOL File]

5217-47-0.mol
Chemical PropertiesBack Directory
[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 DataBack Directory
[Hazard Codes ]

T
[Risk Statements ]

25-43
[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
Hazard InformationBack Directory
[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.
Spectrum DetailBack Directory
[Spectrum Detail]

1,3-DIETHYL-2-THIOBARBITURIC ACID(5217-47-0)MS
1,3-DIETHYL-2-THIOBARBITURIC ACID(5217-47-0)1HNMR
1,3-DIETHYL-2-THIOBARBITURIC ACID(5217-47-0)13CNMR
1,3-DIETHYL-2-THIOBARBITURIC ACID(5217-47-0)IR1
1,3-DIETHYL-2-THIOBARBITURIC ACID(5217-47-0)IR2
1,3-DIETHYL-2-THIOBARBITURIC ACID(5217-47-0)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

1,3-Diethyl-2-thiobarbituric acid, 99%(5217-47-0)
[Sigma Aldrich]

5217-47-0(sigmaaldrich)
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