5-Fluorouracil
Properties
- Molecular formula
- C4H3FN2O2
- Molar mass
- 130.08 g/mol
- Exact mass
- 130.0179 Da
- Melting point
- 282 °C (decomposes)
- Boiling point
- 361 °C
- pKa
- 8.02
- Water solubility
- < 1 g/L (18.9 °C)
- logP
- 0.03Crippen estimate
- Polar surface area
- 66.2 Ų
- H-bond donors / acceptors
- 2 / 4
- Rotatable bonds
- 0
Hazards
Danger
- H301 Toxic if swallowed66.7% of notifiers
- H312 Harmful in contact with skin33.9% of notifiers
- H315 Causes skin irritation36.3% of notifiers
- H319 Causes serious eye irritation36.3% of notifiers
- H335 May cause respiratory irritation35.1% of notifiers
- H340 May cause genetic defects35.1% of notifiers
- H360 May damage fertility or the unborn child37.4% of notifiers
- H412 Harmful to aquatic life with long lasting effects24.6% of notifiers
Aggregated from 171 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P203, P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
51-21-8SMILES
Oc1ncc(F)c(O)n1InChIKey
GHASVSINZRGABV-UHFFFAOYSA-NInChI
InChI=1S/C4H3FN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
42 names · show all
- 2,4(1H,3H)-Pyrimidinedione, 5-fluoro-
- Uracil, 5-fluoro-
- 5-Fluoro-2,4(1H,3H)-pyrimidinedione
- NSC 19893
- Ro 2-9757
- Fluorouracil
- 2,4-Dioxo-5-fluoropyrimidine
- Efudex
- 5-FU
- Fluracil
- Fluril
- Fluoroplex
- 5-Fluoro-2,4-pyrimidinedione
- Fluoroblastin
- Phtoruracil
- Phthoruracil
- Fluracilum
- Efurix
- Queroplex
- Arumel
- Kecimeton
- Adrucil
- Efudix
- Carzonal
- Ulup
- Ftoruracil
- U 8953
- Timazin
- FU
- Fluri
- 5-Fluoracyl
- Carac
- 2,4-Dihydroxy-5-fluoropyrimidine
- Fluracedyl
- 5-Fluoropyrimidine-2,4-diol
- Flurablastin
- DBL
- 5-Fluoro-1H-pyrimidine-2,4-dione
- Fluorouracile accord
- 5-Oncouracil
- Sigma 03738
- 5-Fluoro-2,4-dihydroxypyrimidine
Work with 5-Fluorouracil
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
Pyrimidine-2,4,5-triol20636-41-356 % similar
5-Fluoro-2-methoxy-4(3H)-pyrimidinone1480-96-253 % similar
5-Chlorouracil1820-81-152 % similar
5-Bromouracil51-20-752 % similar
Thymine65-71-452 % similar
5-Iodouracil696-07-152 % similar
5-Aminouracil932-52-552 % similar
Trifluoromethyluracil54-20-652 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.