5-Fluoro-2,4(1H,3H)-pyrimidinedione
c1c(c(=O)[nH]c(=O)[nH]1)F CopyCopied
InChI=1S/C4H3FN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9) CopyCopied
GHASVSINZRGABV-UHFFFAOYSA-N CopyCopied
Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts
Fluorouracil [Wiki] [INN] [BAN] [JAN] [USAN]
2,4(1H,3H)-Pyrimidinedione, 5-fluoro-
5-Fluoro-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
5-fluoropyrimidine-2,4(1H,3H)-dione
5-Fluorouracil
5-Fluorpyrimidin-2,4(1H,3H)-dion [German]
Fluorouracilo [Spanish] [INN]
1004-03-1 [RN]
127172 [Beilstein]
2,4-DIHYDROXY-5-FLUOROPYRIMIDINE
2,4-Dioxo-5-fluoropryimidine
2,4-Dioxo-5-fluoropyrimidine
200-085-6 [EINECS]
29648-12-2 [RN]
337376-15-5
4921-97-5 [RN]
5 Fluorouracil
5 FU Lederle
5 FU medac
5 HU Hexal
51-21-8 [RN]
5-Faracil
5-Fluor-2,4(1H,3H)-pyrimidindion [Czech]
5-Fluor-2,4-dihydroxypyrimidin [Czech]
5-Fluor-2,4-pyrimidindiol [Czech]
5-Fluoracil [German]
5-Fluoracyl
5-Fluoro uracil
5-fluoro-1,3-dihydropyrimidine-2,4-dione
5-Fluoro-1H-pyrimidine-2,4-dione
5-Fluoro-2,4-(1H,3H)pyrimidinedione
5-Fluoro-2,4-(1H,3H)-pyrimidinedione
5-Fluoro-2,4-pyrimidinedione
5-Fluoropyrimidin-2,4-diol
5-Fluoropyrimidine-2,4-dione
5-Fluorouracil-6-3H
5-Fluoruracil [German]
5-flurouracil
5-Ftouracyl
5FU
5-FU
5-FU Lederle
5-FU medac
5-HU Hexal
79108-01-3 [RN]
79871-89-9 [RN]
Adrucil
Arumel
Carac
Carzonal
Cinco FU
Efudex
Efudix
Efurix
Fluoro Uracile ICN
Fluoroblastin
Fluoroplex
Fluorouracil GRY
Fluorouracil, 5-
Fluorouracil, 5-FU, Carac, Efudex, Fluoroplex
Fluoro-uracile
Fluorouracile [DCIT]
Fluoro-Uracile ICN
Fluorouracil-GRY
Fluoro-uracilo
Fluorouracilum
Fluoruracil
Fluracedyl
Fluracil
Fluracilum
Fluri
Fluril
Fluro uracil
Fluroblastin
Flurodex
Ftoruracil
FU
Haemato fu
Haemato-fu
Kecimeton
Neofluor
Onkofluor
Phthoruracil
Phtoruracil
Queroplex
Ribofluor
Timazin
Ulup
URACIL, 5-FLUORO-
URF
47576_FLUKA [DBID]
858471_ALDRICH [DBID]
AI3-25297 [DBID]
AIDS008287 [DBID]
AIDS-008287 [DBID]
C07649 [DBID]
CCRIS 2582 [DBID]
D005472 [DBID]
D00584 [DBID]
DivK1c_000054 [DBID]
DRG-0161 [DBID]
EU-0100536 [DBID]
F5641_SIGMA [DBID]
F6627_SIGMA [DBID]
F8423_SIGMA [DBID]
HSDB 3228 [DBID]
KBio1_000054 [DBID]
KBio2_001321 [DBID]
KBio2_003889 [DBID]
KBio2_006457 [DBID]
KBio3_001268 [DBID]
KBioGR_001253 [DBID]
KBioSS_001321 [DBID]
Lopac-F-6627 [DBID]
MFCD00006018 [DBID]
MLS000069498 [DBID]
NCGC00015442-01 [DBID]
NCGC00091349-01 [DBID]
nchembio.90-comp3 [DBID]
nchembio809-comp6 [DBID]
NCI60_001652 [DBID]
NINDS_000054 [DBID]
NSC 19893 [DBID]
NSC129417 [DBID]
NSC168664 [DBID]
NSC19893 [DBID]
NSC-19893 [DBID]
Ro 2-9757 [DBID]
Ro-2-9757 [DBID]
SMR000038082 [DBID]
SPBio_000291 [DBID]
Spectrum_000841 [DBID]
Spectrum2_000076 [DBID]
Spectrum3_000434 [DBID]
Spectrum4_000557 [DBID]
TL8006093 [DBID]
U 8953 [DBID]
U-8953 [DBID]
UPCMLD-DP130:001 [DBID]
YR0350000 [DBID]
ZINC00897110 [DBID]
Data supplied by datasources and users.
Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.
Predicted data is generated using the US Environmental Protection Agency’s EPISuite™, for more information see their website.
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = -0.81 Log Kow (Exper. database match) = -0.89 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 367.33 (Adapted Stein & Brown method) Melting Pt (deg C): 150.62 (Mean or Weighted MP) VP(mm Hg,25 deg C): 7.12E-008 (Modified Grain method) MP (exp database): 283 deg C Subcooled liquid VP: 5.1E-005 mm Hg (25 deg C, Mod-Grain method) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 2.59e+004 log Kow used: -0.89 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 1.11e+004 mg/L (22 deg C) Exper. Ref: BURR,A & BUNDGAARD,H (1985) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 18923 mg/L Wat Sol (Exper. database match) = 11100.00 Exper. Ref: BURR,A & BUNDGAARD,H (1985) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Imides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.66E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.705E-013 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -0.89 (exp database) Log Kaw used: -8.168 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.278 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6856 Biowin2 (Non-Linear Model) : 0.7616 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9117 (weeks ) Biowin4 (Primary Survey Model) : 3.6601 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3487 Biowin6 (MITI Non-Linear Model): 0.0055 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.7626 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.0068 Pa (5.1E-005 mm Hg) Log Koa (Koawin est ): 7.278 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000441 Octanol/air (Koa) model: 4.66E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0157 Mackay model : 0.0341 Octanol/air (Koa) model: 0.000372 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 5.8323 E-12 cm3/molecule-sec Half-Life = 1.834 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 22.007 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 0.070000 E-17 cm3/molecule-sec Half-Life = 16.371 Days (at 7E11 mol/cm3) Fraction sorbed to airborne particulates (phi): 0.0249 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 8.427 Log Koc: 0.926 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Rate constants can NOT be estimated for this structure! Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.500 (BCF = 3.162) log Kow used: -0.89 (expkow database) Volatilization from Water: Henry LC: 1.66E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.023E+006 hours (1.676E+005 days) Half-Life from Model Lake : 4.388E+007 hours (1.828E+006 days) Removal In Wastewater Treatment: Total removal: 1.85 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.75 percent Total to Air: 0.00 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.00672 39.6 1000 Water 39 360 1000 Soil 61 720 1000 Sediment 0.0713 3.24e+003 0 Persistence Time: 579 hr
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