6-Chlorouracil - CAS 4270-27-3
Catalog: |
BB025206 |
Product Name: |
6-Chlorouracil |
CAS: |
4270-27-3 |
Synonyms: |
6-chloro-1H-pyrimidine-2,4-dione; 6-chloro-1H-pyrimidine-2,4-dione |
IUPAC Name: | 6-chloro-1H-pyrimidine-2,4-dione |
Description: | 6-Chlorouracil (CAS# 4270-27-3) is a potential inhibitor of DNA repair glycosylases. |
Molecular Weight: | 146.53 |
Molecular Formula: | C4H3ClN2O2 |
Canonical SMILES: | C1=C(NC(=O)NC1=O)Cl |
InChI: | InChI=1S/C4H3ClN2O2/c5-2-1-3(8)7-4(9)6-2/h1H,(H2,6,7,8,9) |
InChI Key: | PKUFNWPSFCOSLU-UHFFFAOYSA-N |
Boiling Point: | 300 °C |
Density: | 1.61 g/cm3 |
MDL: | MFCD00014595 |
LogP: | -0.28340 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112341432-A | Synthesis process of alogliptin benzoate | 20201113 |
CN-111693627-A | Detection method and application of 6-chloro-3-methyl uracil and related substances thereof | 20200625 |
CN-111533700-A | 5-substituted uracil derivative and preparation method and application thereof | 20200520 |
CN-110787779-A | Preparation and application of polymer-wrapped silica gel core-shell type chromatographic packing | 20191217 |
WO-2021076197-A1 | Conjugate molecules | 20191015 |
PMID | Publication Date | Title | Journal |
23047760 | 20121128 | Divergent synthesis of novel 9-deazaxanthine derivatives via late-stage cross-coupling reactions | Organic & biomolecular chemistry |
22821195 | 20120901 | Protonation preferentially stabilizes minor tautomers of the halouracils: IRMPD action spectroscopy and theoretical studies | Journal of the American Society for Mass Spectrometry |
19924760 | 20091201 | Investigation of trypanothione reductase as a drug target in Trypanosoma brucei | ChemMedChem |
19582220 | 20090604 | Application of ionic liquids in high performance reversed-phase chromatography | International journal of molecular sciences |
18468893 | 20080601 | Improved synthesis of antibacterial 3-substituted 6-anilinouracils | Bioorganic & medicinal chemistry letters |
Complexity: | 199 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 145.9883050 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 145.9883050 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 58.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.3 |
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