4-Chloro-1,3-benzenediol
Clc1ccc(O)cc1O CopyCopied
InChI=1S/C6H5ClO2/c7-5-2-1-4(8)3-6(5)9/h1-3,8-9H CopyCopied
JQVAPEJNIZULEK-UHFFFAOYSA-N CopyCopied
Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts
1,3-benzenediol, 4-chloro-
4-Chloro-1,3-dihydroxybenzene
4-chlorobenzene-1,3-diol
1,3-Dihydroxy-4-chlorobenzene
15733-22-9 [RN]
1-Chloro-2,4-dihydroxybenzene
2,4-Dihydroxychlorobenzene
202-462-0 [EINECS]
2042864
4-06-00-02064 (Beilstein Handbook Reference) [Beilstein]
4-06-00-05684 (Beilstein Handbook Reference) [Beilstein]
4-Chloro-1, 3-benzenediol
4-Chloro-1,3-benzenediol [ACD/IUPAC Name]
4-Chlororesorcin
4-Chlororesorcinol
6-Chlororesorcinol
95-88-5 [RN]
Parmetol
p-Chlororesorcinol
Raschit K
resorcinol, 4-chloro-
AI3-00075 [DBID]
AI3-03873 [DBID]
AIDS017781 [DBID]
AIDS-017781 [DBID]
BRN 1237629 [DBID]
BRN 2042864 [DBID]
C.I. 76510 [DBID]
C14331 [DBID]
C70606_ALDRICH [DBID]
CCRIS 1938 [DBID]
CI 76510 [DBID]
D03468 [DBID]
DivK1c_000768 [DBID]
EPA Pesticide Chemical Code 064206 [DBID]
KBio1_000768 [DBID]
KBio2_000590 [DBID]
KBio2_003158 [DBID]
KBio2_005726 [DBID]
KBioGR_000776 [DBID]
KBioSS_000590 [DBID]
MFCD00002273 [DBID]
NCGC00091338-01 [DBID]
NINDS_000768 [DBID]
NSC 1569 [DBID]
NSC 4166 [DBID]
NSC1569 [DBID]
NSC4166 [DBID]
NSC6298 [DBID]
RCRA waste no. U039 [DBID]
RCRA waste number U039 [DBID]
SPBio_000003 [DBID]
Spectrum_000130 [DBID]
Spectrum2_000002 [DBID]
Spectrum4_000278 [DBID]
ZINC00001124 [DBID]
ZINC00404336 [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) = 1.68 Log Kow (Exper. database match) = 1.80 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 258.35 (Adapted Stein & Brown method) Melting Pt (deg C): 68.89 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00049 (Modified Grain method) MP (exp database): 107 deg C BP (exp database): 147 @ 18 mm Hg deg C Subcooled liquid VP: 0.00312 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): 8840 log Kow used: 1.80 (expkow database) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 82740 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Phenols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.32E-011 atm-m3/mole Group Method: 6.89E-011 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.054E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.80 (exp database) Log Kaw used: -8.753 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.553 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7279 Biowin2 (Non-Linear Model) : 0.6808 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7859 (weeks ) Biowin4 (Primary Survey Model) : 3.5532 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4414 Biowin6 (MITI Non-Linear Model): 0.3706 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3090 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): 0.416 Pa (0.00312 mm Hg) Log Koa (Koawin est ): 10.553 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 7.21E-006 Octanol/air (Koa) model: 0.00877 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00026 Mackay model : 0.000577 Octanol/air (Koa) model: 0.412 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 166.5983 E-12 cm3/molecule-sec Half-Life = 0.064 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.770 Hrs Ozone Reaction: No Ozone Reaction Estimation Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 0.000419 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 717.6 Log Koc: 2.856 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 = 0.686 (BCF = 4.853) log Kow used: 1.80 (expkow database) Volatilization from Water: Henry LC: 6.89E-011 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1.022E+007 hours (4.257E+005 days) Half-Life from Model Lake : 1.115E+008 hours (4.644E+006 days) Removal In Wastewater Treatment: Total removal: 2.10 percent Total biodegradation: 0.09 percent Total sludge adsorption: 2.00 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 0.00136 1.54 1000 Water 25.3 360 1000 Soil 74.7 720 1000 Sediment 0.0735 3.24e+003 0 Persistence Time: 683 hr
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