5-Nitrobarbituric Acid
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Product Description
Product
5-Nitrobarbituric Acid
CAS
480-68-2
Formula
C4H3N3O5
Synonym
5-Nitrobarbituric acid; 5-Nitrobarbituric acid (Anhydrous type); 5-Nitrobarbituric Acid 5-24-09-00105 (Beilstein Handbook Reference); 5-Nitrobarbitursaure; 5-Nitro-hexahydropyrimidine-2,4,6-trione; 5-nitropyrimidine-2,4,6(1H,3H,5H)-trione; AI3-08858; AURORA KA-3829; Barbituric acid, 5-nitro-; BRN 0180758; Dilituric acid; EINECS 207-557-0; NSC 5071; UNII-8WZ923176V; 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-nitro-; 5-nitro-1,3-diazinane-2,4,6-trione; 5-Nitro-2,4,6(1H,3H,5H)-pyrimidinetrione; 5-Nitro-6-hydroxyuracil
Typical Product Specifications
Molecular weight
173.08
EINECS
207-557-0
SMILES
C1(C(NC(=O)NC1=O)=O)[N+](=O)[O-]
InChI
ABICJYZKIYUWEE-UHFFFAOYSA-N
InChIKey
1S/C4H3N3O5/c8-2-1(7(11)12)3(9)6-4(10)5-2/h1H,(H2,5,6,8,9,10)
Water solubility
900 mg/L
log P (octanol-water)
-1.190
Atmospheric OH Rate Constant
2.13E-12 cm3/molecule-sec
Melting Point
180.5 ° C
Merck
6585
Class
5-Nitrobarbituric Acid
Product Description
Product
5-Nitrobarbituric Acid
CAS
480-68-2
Formula
C4H3N3O5
Synonym
5-Nitrobarbituric acid; 5-Nitrobarbituric acid (Anhydrous type); 5-Nitrobarbituric Acid 5-24-09-00105 (Beilstein Handbook Reference); 5-Nitrobarbitursaure; 5-Nitro-hexahydropyrimidine-2,4,6-trione; 5-nitropyrimidine-2,4,6(1H,3H,5H)-trione; AI3-08858; AURORA KA-3829; Barbituric acid, 5-nitro-; BRN 0180758; Dilituric acid; EINECS 207-557-0; NSC 5071; UNII-8WZ923176V; 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-nitro-; 5-nitro-1,3-diazinane-2,4,6-trione; 5-Nitro-2,4,6(1H,3H,5H)-pyrimidinetrione; 5-Nitro-6-hydroxyuracil
Typical Product Specifications
Molecular weight
173.08
EINECS
207-557-0
SMILES
C1(C(NC(=O)NC1=O)=O)[N+](=O)[O-]
InChI
ABICJYZKIYUWEE-UHFFFAOYSA-N
InChIKey
1S/C4H3N3O5/c8-2-1(7(11)12)3(9)6-4(10)5-2/h1H,(H2,5,6,8,9,10)
Water solubility
900 mg/L
log P (octanol-water)
-1.190
Atmospheric OH Rate Constant
2.13E-12 cm3/molecule-sec
Melting Point
180.5 ° C
Merck
6585
Class
