6-Chlorouracil - CAS 4270-27-3

Name: 6-Chlorouracil
Brand: BOC Sciences
Rating: 5 (1 reviews)

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

Technical Data

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Literatures

Computed Properties

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

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Related Functional Groups

Other Pyrimidines

[937601-34-8]C9H8BrN3O2
3-Bromo-2,5-dimethylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
[2696462-69-6]C14H23N5O2Si
4-(4-Aminopyrimidin-2-yl)-2-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-one
[927800-47-3]C10H4Cl4FN
4-Chloro-6-fluoro-2-trichloromethyl-quinoline
[81290-20-2]C4H9F3Si
Trimethyl(trifluoromethyl)silane
[551-62-2]C6H2F4
1,2,3,4-Tetrafluorobenzene
[1489-53-8]C6H3F3
1,2,3-Trifluorobenzene

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