Introduction：Basic information about Isocytosine CAS 108-53-2, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Isocytosine Basic information
| Product Name: | Isocytosine |
| Synonyms: | 4-HYDROXY-2-AMINOPYRIMIDINE;2-AMINO-4-HYDROXYPYRIMIDINE;2-AMINO-4-HYDROXYPYRIMIDINE / ISOCYTOSINE;2-Aminouracil;2-AMINO-4-HYDROXYPYRIMIDINE 97%;4-HYDROXY-2-AMINOPYRIMIDINE 97%;2-AMINO-4(3H)-PYRIMIDONE 97%;4(1H)-PYRIMIDINONE, 2-AMINO- |
| CAS: | 108-53-2 |
| MF: | C4H5N3O |
| MW: | 111.1 |
| EINECS: | 203-592-0 |
| Product Categories: | Heterocycle-Pyrimidine series;Nucleic acids;Bases & Related Reagents;Heterocycles;Nucleotides;PYRIMIDINE;Nucleotides and Nucleosides;Pyrimidines |
| Mol File: | 108-53-2.mol |
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Isocytosine Chemical Properties
| Melting point | 275°C |
| density | 1.55±0.1 g/cm3(Predicted) |
| storage temp. | Keep in dark place,Inert atmosphere,Room temperature |
| solubility | DMSO (Slightly) |
| form | Crystalline Powder |
| pka | 9.59±0.40(Predicted) |
| color | White to off-white |
| biological source | synthetic (organic) |
| Water Solubility | Soluble in DMF, DMSO, hot water, and AcOH. |
| InChI | InChI=1S/C4H5N3O/c5-4-6-2-1-3(8)7-4/h1-2H,(H3,5,6,7,8) |
| InChIKey | XQCZBXHVTFVIFE-UHFFFAOYSA-N |
| SMILES | C1(N)NC=CC(=O)N=1 |
| CAS DataBase Reference | 108-53-2(CAS DataBase Reference) |
Safety Information
| Hazard Codes | Xn |
| Risk Statements | 22-36 |
| Safety Statements | 26 |
| WGK Germany | 3 |
| HS Code | 29335990 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral
Eye Irrit. 2 |
Isocytosine Usage And Synthesis
| Chemical Properties | White to Off-White Solid |
| Uses | Isocytosine is a useful intermediate for chemical modifications of base and sugar moieties in natural nucleosides |
| Uses | Isocytosine (2-aminouracil) is an isomer of cytosine used in physical chemical studies involving metal complex binding, hydrogen-bonding, and tautomerism and proton transfer effects in nucleobases. |
| Definition | ChEBI: An aminopyrimidine in which the pyrimidine ring bears amino and hydroxy substituents at positions 2 and 4, respectively. |
Isocytosine Preparation Products And Raw materials
| Raw materials | Imidazo[1,2-a]pyrimidin-5(8H)-one, 6-bromo--->1,3-Dimethyluracil-->Imidazo[1,2-a]pyrimidin-5(1H)-one-->guanidine-->4(1H)-Pyrimidinone, 2-ethoxy- (7CI,9CI) |
| Preparation Products | 2-Amino-4-chloropyrimidine-->2-Hydroxypyrimidine-->5-Iodoisocytosine |
