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benfuracarb

Molecular FormulaC₂₀H₃₀N₂O₅S
Average mass410.528 Da
Monoisotopic mass410.187531 Da
ChemSpider ID49560

More details:

Featured data source

Names and Synonyms
Database ID(s)

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2,3-Dihydro-2,2-dimethyl-7-benzofuranyl N-[N-[2-(ethoxycarbonyl)ethyl]-N-isopropylsulfenamoyl]-N-methylcarbamate

2,3-Dihydro-2,2-dimethylbenzofuran-7-yl N-(N-isopropyl-N-ethoxycarbonylethylaminosulfenyl)-N-methylcarbamate

807671FRZY

82560-54-1 [RN]

8347990 [Beilstein]

AY5088000

benfuracarb [BSI] [ISO]

benfuracarbe [French] [ISO]

Ethyl 3-[{[{[(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)oxy]carbonyl}(methyl)amino]sulfanyl}(isopropyl)amino]propanoate

Ethyl N-[2,3-dihydro-2,2-dimethylbenzofuran-7-yloxycarbonyl(methyl)aminothio]-N-isopropyl-b-alaninate

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Ethyl N-{[{[(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)oxy]carbonyl}(methyl)amino]sulfanyl}-N-isopropyl-β-alaninate [ACD/IUPAC Name]

ethyl N-{[{[(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)oxy]carbonyl}(methyl)amino]sulfanyl}-N-propan-2-yl-β-alaninate

Ethyl-N-{[{[(2,2-dimethyl-2,3-dihydro-1-benzofur-7-yl)oxy]carbonyl}(methyl)amino]sulfanyl}-N-isopropyl-β-alaninat

Ethyl-N-{[{[(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)oxy]carbonyl}(methyl)amino]sulfanyl}-N-isopropyl-β-alaninat [German] [ACD/IUPAC Name]

Furacon [Trade name]

MFCD00210247 [MDL number]

MFCD16661230 [MDL number]

N-{[{[(2,2-Diméthyl-2,3-dihydro-1-benzofur-7-yl)oxy]carbonyl}(méthyl)amino]sulfanyl}-N-isopropyl-β-alaninate d'éthyle

N-{[{[(2,2-Diméthyl-2,3-dihydro-1-benzofuran-7-yl)oxy]carbonyl}(méthyl)amino]sulfanyl}-N-isopropyl-β-alaninate d'éthyle [French] [ACD/IUPAC Name]

Oncol [Trade name]

Oncol 10G [Trade name]

T56 BOT&J C1 C1 IOVN1&SN2VO2&Y1&1 [WLN]

β-Alanine, N-[[[[(2,3-dihydro-2,2-dimethyl-7-benzofuranyl)oxy]carbonyl]methylamino]thio]-N-(1-methylethyl)-, ethyl ester [ACD/Index Name]

бенфуракарб [Russian] [ISO]

丙硫克百威 [Chinese] [ISO]

[82560-54-1] [RN]

3-[[[(2,2-dimethyl-3H-benzofuran-7-yl)oxycarbonyl-methyl-amino]thio]-isopropyl-amino]propionic acid ethyl ester

3-[[[[(2,2-dimethyl-3H-benzofuran-7-yl)oxy-oxomethyl]-methylamino]thio]-isopropylamino]propanoic acid ethyl ester

Benfuracarb 100 ?g/mL in Acetonitrile. Short expiry date due to chemical nature of component(s)

Benfuracarb, 90per cent

CHEBI:3014

Ethyl 3-[([([(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)oxy]carbonyl)(methyl)amino]sulfanyl)(isopropyl)amino]propanoate

ethyl 3-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-propan-2-ylamino]propanoate

ethyl 3-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methyl-amino]sulfanyl-propan-2-yl-amino]propanoate

ethyl 3-[[(2,2-dimethyl-3H-benzofuran-7-yl)oxycarbonyl-methyl-amino]sulfanyl-isopropyl-amino]propanoate

ethyl 3-[{[{[(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)oxy]carbonyl}(methyl)amino]sulfanyl}(1-methylethyl)amino]propanoate

ethyl 3-{[({[(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)oxy]carbonyl}(methyl)amino)sulfanyl](propan-2-yl)amino}propanoate

N-(((((2,3-dihydro-2,2-dimethyl-7-benzofuranyl)oxy)carbonyl)methylamino)thio)-N-(1-methylethyl)-β-alanine, ethyl ester

NCGC00166199-01

Oncol 5G

UNII:807671FRZY

UNII-807671FRZY

β-ALANINE, N-(((((2,3-DIHYDRO-2,2-DIMETHYL-7-BENZOFURANYL)OXY)CARBONYL)METHYL

β-Alanine, N-(((((2,3-dihydro-2,2-dimethyl-7-benzofuranyl)oxy)carbonyl)methylamino)thio)-N-(1-methylethyl)-, ethyl ester

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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

OC 11588 [DBID]

45759_RIEDEL [DBID]

C11073 [DBID]

Caswell No. 349C [DBID]

EPA Pesticide Chemical Code 123201 [DBID]

OC-11588 [DBID]

OK 174 [DBID]

Experimental data
Predicted - ACD/Labs
Predicted - EPISuite
Predicted - ChemAxon
Predicted - Mcule

Miscellaneous
- Toxicity:
  
  Organic Compound; Pesticide; Ether; Ester; Carbamate; Synthetic Compound Toxin, Toxin-Target Database T3D0927

Gas Chromatography

Retention Index (Kovats):

2798 (estimated with error: 89) NIST Spectra mainlib_291750

Retention Index (Normal Alkane):

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density:	1.2±0.1 g/cm³
Boiling Point:	496.2±55.0 °C at 760 mmHg
Vapour Pressure:	0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization:	76.4±3.0 kJ/mol
Flash Point:	253.9±31.5 °C
Index of Refraction:	1.543
Molar Refractivity:	110.3±0.3 cm³
#H bond acceptors:	7
#H bond donors:	0
#Freely Rotating Bonds:	10
#Rule of 5 Violations:	0

ACD/LogP:	4.54
ACD/LogD (pH 5.5):	4.29
ACD/BCF (pH 5.5):	1079.91
ACD/KOC (pH 5.5):	5162.44
ACD/LogD (pH 7.4):	4.29
ACD/BCF (pH 7.4):	1080.29
ACD/KOC (pH 7.4):	5164.24
Polar Surface Area:	94 Å²
Polarizability:	43.7±0.5 10^-24cm³
Surface Tension:	44.7±3.0 dyne/cm
Molar Volume:	350.0±3.0 cm³

Predicted data is generated using the US Environmental Protection Agency�s EPISuite™

                        
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  3.72

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  439.51  (Adapted Stein & Brown method)
    Melting Pt (deg C):  162.27  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  3.48E-008  (Modified Grain method)
    Subcooled liquid VP: 8.94E-007 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):  1.751
       log Kow used: 3.72 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  532.51 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Esters
       Vinyl/Allyl Ethers

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   9.68E-011  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.074E-008 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.72  (KowWin est)
  Log Kaw used:  -8.403  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  12.123
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.1950
   Biowin2 (Non-Linear Model)     :   0.0200
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.2114  (months      )
   Biowin4 (Primary Survey Model) :   3.3212  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.0420
   Biowin6 (MITI Non-Linear Model):   0.0070
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.4894
 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):  0.000119 Pa (8.94E-007 mm Hg)
  Log Koa (Koawin est  ): 12.123
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.0252 
       Octanol/air (Koa) model:  0.326 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.476 
       Mackay model           :  0.668 
       Octanol/air (Koa) model:  0.963 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 346.2778 E-12 cm3/molecule-sec
      Half-Life =     0.031 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    22.240 Min
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    26.499998 E-17 cm3/molecule-sec
      Half-Life =     0.043 Days (at 7E11 mol/cm3)
      Half-Life =      1.038 Hrs
   Fraction sorbed to airborne particulates (phi): 0.572 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  2597
      Log Koc:  3.414 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
  Total Kb for pH > 8 at 25 deg C :  5.821E-002  L/mol-sec
  Kb Half-Life at pH 8:     137.810  days   
  Kb Half-Life at pH 7:       3.773  years  

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 2.165 (BCF = 146.2)
       log Kow used: 3.72 (estimated)

 Volatilization from Water:
    Henry LC:  9.68E-011 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.225E+007  hours   (5.106E+005 days)
    Half-Life from Model Lake : 1.337E+008  hours   (5.57E+006 days)

 Removal In Wastewater Treatment:
    Total removal:              19.08  percent
    Total biodegradation:        0.23  percent
    Total sludge adsorption:    18.85  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       0.000911        0.432        1000       
   Water     9.22            1.44e+003    1000       
   Soil      89.4            2.88e+003    1000       
   Sediment  1.38            1.3e+004     0          
     Persistence Time: 2.72e+003 hr

Click to predict properties on the Chemicalize site

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benfuracarb

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Toxicity:

Retention Index (Kovats):

Retention Index (Normal Alkane):

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