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Barbituric acid

SIAL/185698 - ReagentPlus®, 99%

Synonym: 2,4,6-Trihydroxypyrimidine; Malonylurea

CAS Number: 67-52-7
Empirical Formula (Hill Notation): C4H4N2O3
Molecular Weight: 128.09
EC Number: 200-658-0
MDL Number: MFCD00006666
Linear Formula: C4H4N2O3
Product Type: Chemical
Catalog Number PKG Qty. Price Quantity
45-185698-25G 25 g
 $47.20
1/EA		 Add To Favorites
45-185698-100G 100 g
 $77.40
1/EA		 Add To Favorites
45-185698-500G 500 g
 $159.00
1/EA		 Add To Favorites
This picture is provided solely for illustration purposes. Optical properties of the actual product may deviate. Relevant product information is printed on labeled products and other accompanying or available information material.

This image depicts SKU: 185698-100G
This picture is provided solely for illustration purposes. Optical properties of the actual product may deviate. Relevant product information is printed on labeled products and other accompanying or available information material.

This image depicts SKU: 185698-500G

 

assay 99%
form powder
InChI 1S/C4H4N2O3/c7-2-1-3(8)6-4(9)5-2/h1H2,(H2,5,6,7,8,9)
  [1S/C4H4N2O3/c7-2-1-3(8)6-4(9)5-2/h1H2,(H2,5,6,7,8,9)]
InChI key HNYOPLTXPVRDBG-UHFFFAOYSA-N
  [HNYOPLTXPVRDBG-UHFFFAOYSA-N]
mp 248-252 °C ((lit.))
  248-252 °C (dec.) (lit.)
product line ReagentPlus®
Quality Level 200 
SMILES string O=C1CC(=O)NC(=O)N1
  [O=C1CC(=O)NC(=O)N1]
Application: Barbituric acid (BA) may be used in the preparation of the corresponding hemiaminals, via chemoselective reduction in the presence of SmI2/H2O reagent. It may be used in the preparation of BA- modified conjugated carbon nitride nanosheets.
Application: It may be used to synthesize:
• 5-ylidenebarbituric acid derivatives via Knoevenagel condensation with aromatic and α,β-conjugated aromatic aldehydes
• 5-diaminomethylenebarbiturates by reacting with substituted carbodiimides
General description: Barbituric acid is a useful acid for organic and drug syntheses. Its dihydrate form can be synthesized from barbituric acid via crystallization from aqueous solution. Crystal structure of barbituric acid (in tautomeric form) has been investigated by a three dimensional fourier transform method. Its enol crystal form has been reported to be thermodynamically stable.
Legal Information: ReagentPlus is a registered trademark of Merck KGaA, Darmstadt, Germany
Packaging: 25, 100, 500 g in poly bottle
RIDADR NONH for all modes of transport
WGK Germany WGK 1
Flash Point(F) 302.0 °F - closed cup
Flash Point(C) 150.00 °C - closed cup
Purity 99%
mp 248-252 °C ((lit.)); 248-252 °C (dec.) (lit.)
UNSPSC 12352100

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