1,2,3-Trihydroxy-9,10-anthraquinone
O=C2c1ccccc1C(=O)c3c2cc(O)c(O)c3O CopyCopied
InChI=1S/C14H8O5/c15-9-5-8-10(14(19)13(9)18)12(17)7-4-2-1-3-6(7)11(8)16/h1-5,15,18-19H CopyCopied
AHKDJQYHVWSRLT-UHFFFAOYSA-N CopyCopied
Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts
1,2,3-Trihydroxy-9,10-anthraquinone [ACD/IUPAC Name]
1,2,3-trihydroxyanthracene-9,10-dione
602-64-2 [RN]
9,10-anthracenedione, 1,2,3-trihydroxy-
Anthracene Brown
1,2,3-Trihydroxy-9, 10-anthracenedione
1,2,3-trihydroxy-9,10-anthracenedione
1,2,3-trihydroxyanthraquinone
2058042 [Beilstein]
210-022-4 [EINECS]
4-08-00-03567
4-08-00-03567 (Beilstein Handbook Reference) [Beilstein]
9, 10-Anthracenedione, 1,2,3-trihydroxy-
9,10-Anthracenedione, 1,2,3-trihydroxy- (9CI)
Alizarin Brown R
Alizarine Brown HD
Alizarine Brown R
Anthracene Brown FD
Anthracene Brown FF
Anthracene Brown G
Anthracene Brown N
Anthracene Brown S
Anthracene Brown WH
Anthracene Brown WL
Anthracene Printing Brown
anthragallic acid
Anthragallol
Anthraquinone, 1,2, 3-trihydroxy-
anthraquinone, 1,2,3-trihydroxy-
Antracromo Brown D
Antragallol
C.I. Mordant Brown 42
Chrome Fast Brown FC
Mitsui Anthracene Brown
AI3-00802 [DBID]
BRN 2058042 [DBID]
C.I. 58200 [DBID]
C10297 [DBID]
CCRIS 5595 [DBID]
CHEBI:2755 [DBID]
NSC 31754 [DBID]
NSC31754 [DBID]
ZINC04098647 [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) = 3.10 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 468.09 (Adapted Stein & Brown method) Melting Pt (deg C): 197.69 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.88E-012 (Modified Grain method) MP (exp database): 313 deg C Subcooled liquid VP: 4.95E-009 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): 14.45 log Kow used: 3.10 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 170.55 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Phenols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.51E-018 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.719E-014 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.10 (KowWin est) Log Kaw used: -15.734 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 18.834 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9867 Biowin2 (Non-Linear Model) : 0.7668 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7571 (weeks ) Biowin4 (Primary Survey Model) : 3.5527 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4191 Biowin6 (MITI Non-Linear Model): 0.2427 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1827 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): 6.6E-007 Pa (4.95E-009 mm Hg) Log Koa (Koawin est ): 18.834 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.55 Octanol/air (Koa) model: 1.67E+006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.994 Mackay model : 0.997 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 151.8507 E-12 cm3/molecule-sec Half-Life = 0.070 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.845 Hrs Ozone Reaction: No Ozone Reaction Estimation Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 0.996 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 839.5 Log Koc: 2.924 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 = 0.849 (BCF = 7.062) log Kow used: 3.10 (estimated) Volatilization from Water: Henry LC: 4.51E-018 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.078E+014 hours (8.658E+012 days) Half-Life from Model Lake : 2.267E+015 hours (9.445E+013 days) Removal In Wastewater Treatment: Total removal: 6.64 percent Total biodegradation: 0.13 percent Total sludge adsorption: 6.50 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 4.85e-007 1.69 1000 Water 16.7 360 1000 Soil 83 720 1000 Sediment 0.337 3.24e+003 0 Persistence Time: 777 hr
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