O-(4-Cyanophenyl) O,O-dimethyl phosphorothioate
S=P(Oc1ccc(C#N)cc1)(OC)OC CopyCopied
InChI=1S/C9H10NO3PS/c1-11-14(15,12-2)13-9-5-3-8(7-10)4-6-9/h3-6H,1-2H3 CopyCopied
SCKHCCSZFPSHGR-UHFFFAOYSA-N CopyCopied
Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts
Cyanophos
May & baker S 4084
O-(4-Cyanophenyl) O,O-dimethyl phosphorothioate [ACD/IUPAC Name]
O-(4-Cyanphenyl)-O,O-dimethylthiophosphat
O,O-Dimethyl O-(4-Cyanophenyl) Phosphorothioate
Phosphorothioic Acid O-(4-Cyanophenyl) O,O-Dimethyl Ester
Phosphorothioic Acid O,O-Dimethyl Ester O-Ester with p-Hydroxybenzonitrile
phosphorothioic acid, O-(4-cyanophenyl) O,O-dimethyl ester
Sunitomo S 4084
Thiophosphate de O-(4-cyanophényle) et de O,O-diméthyle
(O-p-Cyanophenyl-O,O-dimethylphosphorothioate)
12692-90-9 [RN]
220-130-3 [EINECS]
2636-26-2 [RN]
2695901 [Beilstein]
4-(DIMETHOXYPHOSPHINOTHIOYLOXY)BENZONITRILE
54578-39-1 [RN]
Ciafos
Cyanophos [BSI:ISO]
Cyanox
CYAP
Cynock
May & baker S-4084
O-(4-cyanophenyl) O,O-dimethyl thiophosphate
O,O-Dimethyl O-(4-cyanophenyl) thionophosphate
O,O-Dimethyl O-4-cyanophenyl phosphorothioate
O,O-Dimethyl O-4-cyanophenyl thiophosphate
O,O-Dimethyl phosphorothioate O-ester with p-hydroxybenzonitrile (8CI)
O,O-Dimethyl-O-p-cyanophenyl phosphorothioate
O-4-Cyanophenyl O O-dimethyl phosphorothioate
O-p-Cyanophenyl O,O-dimethyl phosphorothioate
Phosphorothioic acid, O,O-dimethyl ester, O-ester with p-hydroxybenzonitrile
Sumitomo S 4084
ENT 25675 [DBID]
46279_RIEDEL [DBID]
AI3-25675 [DBID]
BAY 34727 [DBID]
Bayer 34727 [DBID]
BRN 2695901 [DBID]
Caswell No. 268A [DBID]
ENT 25,675 [DBID]
EPA Pesticide Chemical Code 268200 [DBID]
HSDB 6427 [DBID]
OMS 226 [DBID]
OMS 869 [DBID]
PS2034_SUPELCO [DBID]
S 4084 [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) = 2.48 Log Kow (Exper. database match) = 2.71 Exper. Ref: DeBruijn,J & Hermens,J (1991) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 339.33 (Adapted Stein & Brown method) Melting Pt (deg C): 15.98 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000236 (Modified Grain method) MP (exp database): 14.5 deg C BP (exp database): 119-120 @ 0.09 mm Hg deg C VP (exp database): 7.88E-04 mm Hg at 20 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 67.92 log Kow used: 2.71 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 46 mg/L (30 deg C) Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 61.076 mg/L Wat Sol (Exper. database match) = 46.00 Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Esters (phosphate) Nearest analog analysis: pesticides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.12E-007 atm-m3/mole Group Method: Incomplete Exper Database: 5.48E-06 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.112E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.71 (exp database) Log Kaw used: -3.650 (exp database) Log Koa (KOAWIN v1.10 estimate): 6.360 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.2527 Biowin2 (Non-Linear Model) : 1.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7330 (weeks-months) Biowin4 (Primary Survey Model) : 3.8970 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2486 Biowin6 (MITI Non-Linear Model): 0.0684 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.8222 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): 0.105 Pa (0.000788 mm Hg) Log Koa (Koawin est ): 6.360 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.86E-005 Octanol/air (Koa) model: 5.62E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00103 Mackay model : 0.00228 Octanol/air (Koa) model: 4.5E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 59.2141 E-12 cm3/molecule-sec Half-Life = 0.181 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.168 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00165 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 269 Log Koc: 2.430 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 = 1.387 (BCF = 24.36) log Kow used: 2.71 (expkow database) Volatilization from Water: Henry LC: 5.48E-006 atm-m3/mole (Henry experimental database) Half-Life from Model River: 168.2 hours (7.009 days) Half-Life from Model Lake : 1966 hours (81.91 days) Removal In Wastewater Treatment: Total removal: 4.15 percent Total biodegradation: 0.11 percent Total sludge adsorption: 3.74 percent Total to Air: 0.30 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.216 4.33 1000 Water 21.1 900 1000 Soil 78.4 1.8e+003 1000 Sediment 0.259 8.1e+003 0 Persistence Time: 958 hr
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