1-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile supplier

Name
1-METHYL-2,4-DIOXO-1,2,3,4-TETRAHYDRO-5-PYRIMIDINECARBONITRILE
EINECS
CAS No. 7465-66-9
Density 1.43 g/cm³
Solubility
Melting Point 267-270°C
Formula C₆H₅N₃O₂
Boiling Point
Molecular Weight 151.1228
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-Pyrimidinecarbonitrile, 1,2,3,4-tetrahydro-1-methyl-2,4-dioxo-;
PSA 78.65000
LogP -1.05472

1-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile Specification

The CAS registry number of 1-Methyl-2,4-dioxo-pyrimidine-5-carbonitrile is 7465-66-9. The systematic name is 1-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile. In addition, the molecular formula is C₆H₅N₃O₂ and the molecular weight is 151.12. What's more, it should be stored in sealed container, and put in a cool and dry place

Physical properties about this chemical are: (1)ACD/LogP: -1.51; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 3.01; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 5; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 0; (10)Polar Surface Area: 64.41 Å²; (11)Index of Refraction: 1.583; (12)Molar Refractivity: 35.16 cm³; (13)Molar Volume: 105.1 cm³; (14)Polarizability: 13.94 ×10^-24cm³; (15)Surface Tension: 65.3 dyne/cm; (16)Density: 1.43 g/cm³.

Uses of 1-Methyl-2,4-dioxo-pyrimidine-5-carbonitrile: it can be used to get 5-carbamoyl-1-methyluracil. This reaction will need reagent conc. H₂SO₄. The reaction time is 3 hours at reaction temperature of 60 °C. The yield is about 60%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1C(\C#N)=C/N(C(=O)N1)C
(2)InChI: InChI=1/C6H5N3O2/c1-9-3-4(2-7)5(10)8-6(9)11/h3H,1H3,(H,8,10,11)
(3)InChIKey: YTJSNMJWGAJURT-UHFFFAOYAW

Product Name

1-METHYL-2,4-DIOXO-1,2,3,4-TETRAHYDRO-5-PYRIMIDINECARBONITRILE

1-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile Specification

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