Barbituric acid supplier

Name
Barbituric acid
EINECS 200-658-0
CAS No. 67-52-7
Article Data96
CAS DataBase
Density 1.455 g/cm³
Solubility 142 g/L (20 °C) in water
Melting Point 248-252 °C (dec.)(lit.)
Formula C₄H₄N₂O₃
Boiling Point 260 °C
Molecular Weight 128.087
Flash Point 150 °C
Transport Information
Appearance cream coloured fine crystalline powder
Safety 24/25
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols
Synonyms Hexahydropyrimidine-2,4,6-trione;2,4,6-Pyrimidinetrione;Barbitursaeure;Hydrouracil, 6-hydroxy-;2，4，6-Trihydroxypyrimidine(Barbituric acid);2, 4, 6-Trihydroxypyrimidine;Malonylurea;6-Hydroxyuracil;Urea, N,N-(1,3-dioxo-1,3-propanediyl)-;2,4,6-Pyrimidinetriol;pyrimidine-2,4,6(1H,3H,5H)-trione;2,4,6 (1H,3H,5H)-Pyrimidinetrione;Barbituric acid (VAN) (8CI);1,3-diazinane-2,4,6-trione;Pyrimidinetrione;sodium 4,6-dioxo-1H-pyrimidin-2-olate;Urea, N, N-(1,3-dioxo-1,3-propanediyl)-;2,4,6-Trioxohexahydropyrimidine;2,4,6-(1H,3H,5H)-Pyrimidinetrione;Malonylharnstoff;Pyrimidinetriol;1,2,3,4,5,6-Hexahydro-2,4,6-pyrimidinetrione;Barbiturate;2,4,6-Trihydroxypyrimidine;
PSA 75.27000
LogP -0.59990

Barbituric acid Chemical Properties

IUPAC Name: 1,3-diazinane-2,4,6-trione
Empirical Formula: C₄H₄N₂O₃
Molecular Weight: 128.0862g/mol
EINECS: 200-658-0
Structure of Barbituric acid (CAS NO.67-52-7):

Melting Point: 248-252 °C (dec.)(lit.)
Boiling Point: 260 °C
Flash Point: 150 °C
Water Solubility: 142 g/L (20 ºC)
Index of Refraction: 1.492
Molar Refractivity: 25.53 cm³
Molar Volume: 88 cm³
Polarizability: 10.12×10^-24cm³
Surface Tension: 48.7 dyne/cm
Density: 1.455 g/cm³
Product Categories: Pharmaceutical Intermediates;PYRIMIDINE;Miscellaneous Biochemicals;Pyrimidine series
Canonical SMILES: C1C(=O)NC(=O)NC1=O
InChI: InChI=1S/C4H4N2O3/c7-2-1-3(8)6-4(9)5-2/h1H2,(H2,5,6,7,8,9)
InChIKey: HNYOPLTXPVRDBG-UHFFFAOYSA-N

Barbituric acid History

Barbituric acid (CAS NO.67-52-7) was discovered by the German chemist Adolf von Baeyer on 4. December 1864—the feast of St Barbara and therefore the name given to the compound—by combining urea and malonic acid in a condensation reaction. and The first to be used in medicine was barbital (Veronal) starting in 1903, and the second, phenobarbitone a.k.a. phenobarbital was first marketed in 1912.

Barbituric acid Uses

Barbituric acid (CAS NO.67-52-7) is used in synthesis of riboflavin.

Barbituric acid Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	505mg/kg (505mg/kg)		Yakugaku Zasshi. Journal of Pharmacy. Vol. 106, Pg. 504, 1986.
rat	LD50	oral	> 5gm/kg (5000mg/kg)		Toxicology and Applied Pharmacology. Vol. 18, Pg. 185, 1971.

Barbituric acid Safety Profile

Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 24/25
S24/25:Avoid contact with skin and eyes.
WGK Germany: 1
RTECS: CP8000000
HS Code: 29335200

Barbituric acid Specification

Barbituric acid , its cas register number is 67-52-7. It also can be called 2,4,6(1H,3H,5H)-Pyrimidinetrione ; 2,4,6-Pyrimidinetriol ; 2,4,6-Pyrimidinetrione ; 2,4,6-Trihydroxypyrimidine ; 2,4,6-Trioxohexahydropyrimidine ; 6-Hydroxyuracil ;
Hydrouracil, 6-hydroxy- ; Malonylurea ; Pyrimidinetriol ; Pyrimidinetrione ; Urea, N,N'-(1,3-dioxo-1,3-propanediyl)- . Barbituric acid (CAS NO.67-52-7) is a cream coloured fine crystalline powder.

Product Name

Barbituric acid