4-Nitrophenol
c1cc(ccc1[N+](=O)[O-])O CopyCopied
InChI=1S/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H CopyCopied
BTJIUGUIPKRLHP-UHFFFAOYSA-N CopyCopied
Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts
1-Hydroxy-4-nitrobenzene
4-Nitrophenol [Wiki] [ACD/IUPAC Name]
4-Nitrophénol [French]
Paranitrofenol [Spanish]
Paranitrofenolo [Italian]
paranitrophenol [Wiki]
para-Nitrophenol
phenol, 4-nitro-
p-Nitrofenol [Czech]
p-nitrophenol
p-nitro-Phenol
PNP
100-02-7 [RN]
1281877 [Beilstein]
2/7/100
202-811-7 [EINECS]
22098-38-0 [RN]
4-Hydroxynitrobenzene
4-Nitrofenol [Spanish]
4-Nitrofenol [Dutch]
4-Nitro-phenol
57936-22-8 [RN]
64047-79-6 [RN]
64047-80-9 [RN]
64047-81-0 [RN]
64047-82-1 [RN]
64047-83-2 [RN]
64070-86-6 [RN]
824-78-2 [RN]
C024836
Fluorodifen metabolite
N-3600
N-3610
NIPHEN
Nitrophenol, 4-
Paranitrofenol [Dutch]
Paranitrophenol [French,German] [German]
Phenol, p-nitro-
p-hydroxynitrobenzene
p-Nitrophenol [UN1663] [Poison]
SR-1C2
TL8007005
对硝基苯酚 [Chinese]
1048_SIAL [DBID]
241326_ALDRICH [DBID]
35836_RIEDEL [DBID]
40056_SUPELCO [DBID]
48549_SUPELCO [DBID]
48695_SUPELCO [DBID]
73560_FLUKA [DBID]
AI3-04856 [DBID]
AIDS019393 [DBID]
AIDS-019393 [DBID]
bmse000223 [DBID]
c0086 [DBID]
C00870 [DBID]
Caswell No. 603 [DBID]
CCRIS 2316 [DBID]
CHEBI:16836 [DBID]
EPA Pesticide Chemical Code 056301 [DBID]
HSDB 1157 [DBID]
N2767_SIGMA [DBID]
N7660_SIAL [DBID]
NCI-C55992 [DBID]
NSC 1317 [DBID]
NSC1317 [DBID]
RCRA waste no. U170 [DBID]
RCRA waste number U170 [DBID]
UN 1663 [DBID]
UN1663 [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) = 1.91 Log Kow (Exper. database match) = 1.91 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 261.49 (Adapted Stein & Brown method) Melting Pt (deg C): 70.76 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00029 (Modified Grain method) MP (exp database): 113.8 deg C BP (exp database): 279 deg C VP (exp database): 9.79E-05 mm Hg at 20 deg C Subcooled liquid VP: 0.00074 mm Hg (20 deg C, exp database VP ) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 7507 log Kow used: 1.91 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 1.16e+004 mg/L (20 deg C) Exper. Ref: SCHWARZENBACH,RP ET AL (1988) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 27259 mg/L Wat Sol (Exper. database match) = 11600.00 Exper. Ref: SCHWARZENBACH,RP ET AL (1988) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Phenols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.21E-009 atm-m3/mole Group Method: 5.48E-009 atm-m3/mole Exper Database: 4.15E-10 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 7.071E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.91 (exp database) Log Kaw used: -7.770 (exp database) Log Koa (KOAWIN v1.10 estimate): 9.680 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4921 Biowin2 (Non-Linear Model) : 0.3620 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7785 (weeks ) Biowin4 (Primary Survey Model) : 3.5783 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2078 Biowin6 (MITI Non-Linear Model): 0.0509 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3210 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): 0.0987 Pa (0.00074 mm Hg) Log Koa (Koawin est ): 9.680 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.04E-005 Octanol/air (Koa) model: 0.00117 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0011 Mackay model : 0.00243 Octanol/air (Koa) model: 0.0859 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 4.3052 E-12 cm3/molecule-sec Half-Life = 2.484 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 29.813 Hrs Ozone Reaction: No Ozone Reaction Estimation Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 0.00176 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 309 Log Koc: 2.490 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 = 0.771 (BCF = 5.898) log Kow used: 1.91 (expkow database) Volatilization from Water: Henry LC: 4.15E-010 atm-m3/mole (Henry experimental database) Half-Life from Model River: 1.664E+006 hours (6.933E+004 days) Half-Life from Model Lake : 1.815E+007 hours (7.564E+005 days) Removal In Wastewater Treatment: Total removal: 2.17 percent Total biodegradation: 0.09 percent Total sludge adsorption: 2.08 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 0.00808 59.6 1000 Water 23.8 360 1000 Soil 76.1 720 1000 Sediment 0.0767 3.24e+003 0 Persistence Time: 699 hr
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