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Cas Database |
| Name |
5-Fluoro-3-(tetrahydro-2-furyl)uracil |
EINECS | N/A |
| CAS No. | 63901-83-7 | Density | 1.45g/cm3 |
| PSA | 64.35000 | LogP | 0.39700 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C8H9 F N2 O3 | Boiling Point | N/A |
| Molecular Weight | 200.169 | Flash Point | N/A |
| Transport Information | N/A | Appearance | N/A |
| Safety | Moderately toxic by ingestion. Mutation data reported. When heated to decomposition it emits toxic vapors of NOx and F−. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | Moderately toxic by ingestion. |
| Synonyms |
3-(2-Tetrahydrofuryl)-5-fluorouracil;3-FT; 5-Fluoro-3-(tetrahydro-2-furanyl)-2,4-pyrimidinedione |
Article Data | 11 |
5-Fluoro-3-(tetrahydro-2-furyl)uracil Chemical Properties
Molecule structure of 5-Fluoro-3-(tetrahydro-2-furyl)uracil (CAS NO.63901-83-7):
IUPAC Name: 5-Fluoro-3-(oxolan-2-yl)-1H-pyrimidine-2,4-dione
Molecular Weight: 200.167063 g/mol
Molecular Formula: C8H9FN2O3
Density: 1.45 g/cm3
Index of Refraction: 1.557
Molar Refractivity: 44.28 cm3
Molar Volume: 137.4 cm3
Polarizability: 17.55×10-24 cm3
Surface Tension: 51.1 dyne/cm
H-Bond Donor: 1
H-Bond Acceptor: 4
Rotatable Bond Count: 1
Tautomer Count: 4
Exact Mass: 200.05972
MonoIsotopic Mass: 200.05972
Topological Polar Surface Area: 58.6
Heavy Atom Count: 14
Complexity: 316
Canonical SMILES: C1CC(OC1)N2C(=O)C(=CNC2=O)F
InChI: InChI=1S/C8H9FN2O3/c9-5-4-10-8(13)11(7(5)12)6-2-1-3-14-6/h4,6H,1-3H2,(H,10,13)
InChIKey: MGYWDJWGVICAEL-UHFFFAOYSA-N
Classification Code of 5-Fluoro-3-(tetrahydro-2-furyl)uracil (CAS NO.63901-83-7): Mutation data
5-Fluoro-3-(tetrahydro-2-furyl)uracil Toxicity Data With Reference
| 1. | cyt-ham-fbr 10 nmol/L | MUREAV Mutation Research. 88 (1981),241. | ||
| 2. | orl-mus LD50:1021 mg/kg | USXXAM United States Patent Document. (Commissioner of Patents and Trademarks, Washington, DC 20231) #4650801 . |
5-Fluoro-3-(tetrahydro-2-furyl)uracil Safety Profile
Moderately toxic by ingestion. Mutation data reported. When heated to decomposition it emits toxic vapors of NOx and F−.
5-Fluoro-3-(tetrahydro-2-furyl)uracil Specification
5-Fluoro-3-(tetrahydro-2-furyl)uracil (CAS NO.63901-83-7) is also named as 3-(2-Tetrahydrofuryl)-5-fluorouracil ; 3-FT ; Uracil, 5-fluoro-3-(tetrahydro-2-furyl)- .
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