5-Chlorouracil
Basic information
- CAS
210369-56-5- Standard SMILES
O=c1nc(O)c(Cl)c[nH]1- InChIKey
ZFTBZKVVGZNMJR-UHFFFAOYSA-N- Molecular formula
- C4H3ClN2O2
- Average molar mass
- 146.53 g/mol
Overview
5-chlorouracil is an organochlorine compound consisting of uracil having an chloro substituent at the 5-position. It is functionally related to a uracil.
Names & identifiers
- Preferred name
- 5-Chlorouracil
- IUPAC
- 5-chloro-1H-pyrimidine-2,4-dione
- English name
- 2(1H)-Pyrimidinone, 5-chloro-4-hydroxy- (9CI)
- Molecular formula
- C4H3ClN2O2
- Molecular weight
- 146.53
Names & synonyms
5-CHLOROURACIL1820-81-15-chloropyrimidine-2,4(1H,3H)-dione2,4(1H,3H)-Pyrimidinedione, 5-chloro-7LQ4V03RNYDTXSID7075137CHEBI:60762NSC-28172RefChem:535032DTXCID6035788217-339-75-Chloro-1H-pyrimidine-2,4-dione
Show more names
2(1H)-Pyrimidinone, 5-chloro-4-hydroxy- (9CI)
5-Chloro-2,4-dihydroxypyrimidineUracil, 5-chloro-Fluorouracil EP Impurity EMFCD000060195-Chlorouracil-15N2,13C164415-64-94(3H)-Pyrimidinone, 5-chloro-2-hydroxy- (9CI)107577-08-2
Database identifiers
- CAS
210369-56-5- ChEMBL
CHEMBL144082- ChEBI
CHEBI:60762- UNII
- 7LQ4V03RNY
- EC Number
- 217-339-7
- Nikkaji
- J49.053I
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 199
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
LogP-0.35
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (75%): Toxic if swallowed [Danger Acute toxicity, oral]
P203, P264, P270, P280, P301+P316, P301+P317, P318, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (75%)
Chemistry & industry
Additional notes
DefinitionChEBI: 5-chlorouracil is an organochlorine compound consisting of uracil having an chloro substituent at the 5-position. It is functionally related to a uracil.
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Compound notes
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