1,3-Dimethylbarbituric acid , 99% , 769-42-6

Synonym(s):
1,3-Dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione;1,3-Dimethylbarbituric acid

CAS NO.：769-42-6

Empirical Formula: C6H8N2O3

Molecular Weight: 156.14

MDL number: MFCD00006675

EINECS: 212-211-7

PRODUCT Properties

• Melting point: 121-123 °C (lit.) 121-123 °C
• Boiling point: 228.1±23.0 °C(Predicted)
• Density: 1.322±0.06 g/cm3(Predicted)
• bulk density: 500kg/m3
• storage temp.: -20°C Freezer
• solubility: hot water: soluble0.5g/10 mL, clear, colorless to faintly yellow
• form: Crystalline Powder
• pka: pK1:4.68(+1) (25°C)
• color: White/cream/pale yellow
• PH: 2.5 (20°C, 100g/L in H2O, slurry)
• Water Solubility: Soluble in water.
• BRN: 139810
• InChI: 1S/C6H8N2O3/c1-7-4(9)3-5(10)8(2)6(7)11/h3H2,1-2H3
• InChIKey: VVSASNKOFCZVES-UHFFFAOYSA-N
• SMILES: CN1C(=O)CC(=O)N(C)C1=O
• CAS DataBase Reference: 769-42-6(CAS DataBase Reference)
• NIST Chemistry Reference: 1,3-Dimethylbarbituric acid(769-42-6)
• EPA Substance Registry System: 2,4,6(1H,3H,5H)-Pyrimidinetrione, 1,3-dimethyl- (769-42-6)

Description and Uses

1,3-Dimethyl Barbituric Acid (Urapidil Impurity 4) is a derivative of Barbituric acid. All of the barbituric acid derivatives which have been reported to have pronounced hypnotic activity are disubstituted in the 5-position.

Safety

• Symbol(GHS): GHS05,GHS07
• Signal word: Danger
• Hazard statements: H302-H318
• Precautionary statements: P264-P270-P280-P301+P312-P305+P351+P338-P501
• PPE: dust mask type N95 (US), Eyeshields, Gloves
• Hazard Codes: Xn
• Risk Statements: 22-41
• Safety Statements: 26-36/39
• WGK Germany: 3
• TSCA: TSCA listed
• HS Code: 29339900
• Storage Class: 11 - Combustible Solids
• Hazard Classifications: Acute Tox. 4 Oral; Eye Dam. 1