2-Chloro-9,10-anthraquinone
Clc3ccc2C(=O)c1c(cccc1)C(=O)c2c3 CopyCopied
InChI=1S/C14H7ClO2/c15-8-5-6-11-12(7-8)14(17)10-4-2-1-3-9(10)13(11)16/h1-7H CopyCopied
FPKCTSIVDAWGFA-UHFFFAOYSA-N CopyCopied
Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts
2-Chloro-9,10-anthracenedione
2-chloro-9,10-anthraquinone [ACD/IUPAC Name]
2-chloroanthraquinone
9,10-Anthracenedione, 2-chloro-
131-09-9 [RN]
138-09-9
2 -Chloroanthraquinone
205-010-0 [EINECS]
2051842
2-chloroanthra-9,10-quinone
2-chloroanthracene-9,10-dione
2-Chloro-anthraquinone
2-Chloroanthraquinone; >98%
64441-70-9 [RN]
9/9/131
Anthraquinone, 2-chloro-
β-Chloroanthraquinone
156299_ALDRICH [DBID]
AI3-00064 [DBID]
AI3-00262 [DBID]
AIDS017894 [DBID]
AIDS-017894 [DBID]
C11233 [DBID]
CCRIS 2674 [DBID]
EPA Pesticide Chemical Code 028002 [DBID]
NCGC00090692-01 [DBID]
NSC 15398 [DBID]
NSC 1702 [DBID]
NSC15398 [DBID]
NSC1702 [DBID]
RCRA waste no. U102 [DBID]
RCRA waste number U102 [DBID]
ZINC00391885 [DBID]
ZINC03861197 [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) = 3.99 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 382.28 (Adapted Stein & Brown method) Melting Pt (deg C): 139.01 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.36E-007 (Modified Grain method) MP (exp database): 211 deg C Subcooled liquid VP: 2.23E-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): 0.7905 log Kow used: 3.99 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.31983 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.36E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 9.532E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.99 (KowWin est) Log Kaw used: -7.016 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.006 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4633 Biowin2 (Non-Linear Model) : 0.0336 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4114 (weeks-months) Biowin4 (Primary Survey Model) : 3.2879 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2894 Biowin6 (MITI Non-Linear Model): 0.1006 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.0180 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): 0.00297 Pa (2.23E-005 mm Hg) Log Koa (Koawin est ): 11.006 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00101 Octanol/air (Koa) model: 0.0249 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0352 Mackay model : 0.0747 Octanol/air (Koa) model: 0.666 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 1.2762 E-12 cm3/molecule-sec Half-Life = 8.381 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 100.570 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0549 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 300.8 Log Koc: 2.478 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 = 1.531 (BCF = 34) log Kow used: 3.99 (estimated) Volatilization from Water: Henry LC: 2.36E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.865E+005 hours (1.61E+004 days) Half-Life from Model Lake : 4.216E+006 hours (1.757E+005 days) Removal In Wastewater Treatment: Total removal: 29.61 percent Total biodegradation: 0.32 percent Total sludge adsorption: 29.29 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 0.0214 201 1000 Water 11 900 1000 Soil 86.4 1.8e+003 1000 Sediment 2.54 8.1e+003 0 Persistence Time: 1.88e+003 hr
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