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1 hit(s) found in 0.11 seconds Search term: AHKDJQYHVWSRLT-UHFFFAOYAL Found by InChIKey (full match)
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1,2,3-Trihydroxy-9,10-anthraquinone
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/ELINCS]
More...
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
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AI3-00802
BRN 2058042
C.I. 58200
C10297
CCRIS 5595
CHEBI:2755
NSC 31754
NSC31754
ZINC04098647
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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