6-Fluorouracil
Basic information
- CAS
591-36-6- Standard SMILES
O=c1cc(F)[nH]c(=O)[nH]1- InChIKey
ZARBPJCRKSPIRN-UHFFFAOYSA-N- Molecular formula
- C4H3FN2O2
- Average molar mass
- 130.08 g/mol
- Monoisotopic mass
- 130.0178555
Overview
structure given in first source
Names & identifiers
- Preferred name
- 6-Fluorouracil
- IUPAC
- 6-fluoro-1H-pyrimidine-2,4-dione
- English name
- 6-Fluorouracil
- Molecular formula
- C4H3FN2O2
- Molecular weight
- 130.08
Names & synonyms
6-Fluorouracil591-36-6DTXSID00326479RefChem:104660DTXCID402775926-Fluoro-9-beta-d-ribofuranosylpurine6-Fluoropyrimidine-2,4(1H,3H)-dione6-fluoro-1H-pyrimidine-2,4-dioneNSC 5288812,4(1H,3H)-Pyrimidinedione, 6-fluoro-NSC528881SCHEMBL1896344
Show more names
2,4(1H,3H)-Pyrimidinedione, 6-fluoro- (9CI)
SCHEMBL8642285CHEMBL4854670SCHEMBL11003114SCHEMBL11003116AKOS006242761NSC-528881SB56367DB-081541
Database identifiers
- CAS
591-36-6- PubChem CID
- 352912
- DTXSID
DTXSID00326479- ChEMBL
CHEMBL4854670- Nikkaji
- J834.178H
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 199
Physicochemical properties
- Melting point
- 300 °C · 300 °C
- Density
- 1.53 · 1.53±0.1 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 6.99 · 6.99±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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