5-Chlorouracil - CAS 1820-81-1

Catalog:	BB013869
Product Name:	5-Chlorouracil
CAS:	1820-81-1
Synonyms:	5-chloro-1H-pyrimidine-2,4-dione
Application:	Used for the experimental and clinical treatment of neoplastic and viral diseases. Fluorouracil EP Impurity E.

Technical Data

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Computed Properties

IUPAC Name:	5-chloro-1H-pyrimidine-2,4-dione
Description:	Fluorouracil Impurity E has the potential to treat neoplastic and viral diseases.
Molecular Weight:	146.53
Molecular Formula:	C4H3ClN2O2
Canonical SMILES:	C1=C(C(=O)NC(=O)N1)Cl
InChI:	InChI=1S/C4H3ClN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)
InChI Key:	ZFTBZKVVGZNMJR-UHFFFAOYSA-N
Melting Point:	>300 ℃
Purity:	> 95 %
Density:	1.61 g/cm³
Appearance:	White solid
MDL:	MFCD00006019
LogP:	-0.28340

Publication Number	Title	Priority Date
CN-112618699-A	Reagent capable of providing interleukin 10 with effective treatment amount and antitumor application thereof	20201231
CN-111876432-A	Acquisition and application of novel liver-targeted adeno-associated viruses	20200729
US-11103576-B1	Measles virus vaccine expressing SARS-COV-2 protein(s)	20200615
WO-2021209970-A1	Sars cov-2 spike protein construct	20200416
WO-2021211455-A1	Hla class i-restricted t cell receptors against lmp2	20200413

PMID	Publication Date	Title	Journal
22821195	20120901	Protonation preferentially stabilizes minor tautomers of the halouracils: IRMPD action spectroscopy and theoretical studies	Journal of the American Society for Mass Spectrometry
22226896	20120301	A spectroscopic investigations of anticancer drugs binding to bovine serum albumin	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
22210098	20120201	A rapid HPLC-ESI-MS/MS method for determination of dihydrouracil/uracil ratio in plasma: evaluation of toxicity to 5-flurouracil in patients with gastrointestinal cancer	Therapeutic drug monitoring
21859636	20120101	Benzene metabolite 1,2,4-benzenetriol induces halogenated DNA and tyrosines representing halogenative stress in the HL-60 human myeloid cell line	Environmental health perspectives
22071464	20111228	Electron transfer processes in potassium collisions with 5-fluorouracil and 5-chlorouracil	Physical chemistry chemical physics : PCCP

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

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