Jump to main content Jump to site nav

Visit the new version of ChemSpider

Try beta.chemspider

Flucythrinate

Molecular FormulaC₂₆H₂₃F₂NO₄
Average mass451.462 Da
Monoisotopic mass451.159515 Da
ChemSpider ID46213

More details:

Featured data source

Names and Synonyms
Database ID(s)

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

2-[4-(Difluorométhoxy)phényl]-3-méthylbutanoate de cyano(3-phénoxyphényl)méthyle [French] [ACD/IUPAC Name]

4-(Difluoromethoxy)-a-(1-methylethyl)benzeneacetic Acid Cyano(3-phenoxyphenyl)methyl Ester

70124-77-5 [RN]

Benzeneacetic acid, 4-(difluoromethoxy)-α-(1-methylethyl)-, cyano(3-phenoxyphenyl)methyl ester

Benzeneacetic acid, 4-(difluoromethoxy)-α-(1-methylethyl)-, cyano(3-phenoxyphenyl)methyl ester [ACD/Index Name]

CY1578620

Cyan(3-phenoxyphenyl)methyl-2-[4-(difluormethoxy)phenyl]-3-methylbutanoat [German] [ACD/IUPAC Name]

Cyano(3-phenoxyphenyl)methyl 2-[4-(difluoromethoxy)phenyl]-3-methylbutanoate [ACD/IUPAC Name]

Flucythrinate [ISO] [Wiki]

MFCD00137383

More...

UNII:57D0GAO3RX

α-Cyano-3-phenoxybenzyl 4-difluoromethoxy-α-isopropylphenylacetate

(??)-Cyano-(3-phenoxyphenyl)methyl (+)-4-(difluoromethoxy)-??-(1-methylethyl)benzeneacetate

(±)-cyano-(3-phenoxyphenyl)methyl (+)-4-(difluoromethoxy)-α-(1-methylethyl)benzeneacetate

(±)-cyano-(3-phenoxyphenyl)methyl (+)-4-(difluoromethoxy)-α-(methylethyl)benzeneacetate

(RS)-Cyano-(3-phenoxyphenyl)methyl (S)-4-(difluoromethoxy)-α-(1-methylethyl)benzeneacetate

[(S)-cyano-(3-phenoxyphenyl)methyl] 2-[4-(difluoromethoxy)phenyl]-3-methylbutanoate

[cyano-(3-phenoxyphenyl)methyl] 2-[4-(difluoromethoxy)phenyl]-3-methylbutanoate

[cyano-(3-phenoxyphenyl)methyl] 2-[4-(difluoromethoxy)phenyl]-3-methyl-butanoate

4-(Difluoromethoxy)-α-(1-methylethyl)benzeneacetic acid cyano(3-phenoxy-phenyl)methyl ester

57D0GAO3RX

71611-31-9 [RN]

Aastar

Cyano(3-phenoxyphenyl)methyl 2-(4-(difluoromethoxy)phenyl)-3-methylbutyrate

Cyano(3-phenoxyphenyl)methyl 4-(difluoromethoxy)-α-(1-methylethyl)benzeneac

cyano[3-(phenyloxy)phenyl]methyl 2-{4-[(difluoromethyl)oxy]phenyl}-3-methylbutanoate

CyBolt [Trade name]

Cythrin

Flucythrinate [ANSI:BSI:ISO]

Flucythrinate 10 ?g/mL in Cyclohexane

Flucythrinate 10 µg/mL in Cyclohexane

Flucythrinate 100 ?g/mL in Isooctane

Flucythrinate 100 µg/mL in Isooctane

Flucythrinatemissing

Flucytrinat

Fludioxanil

Fluorocythrin

Funchiong jujr

Guardian [Trade name]

Pay Off

Pay-Off [Trade name]

Stock Guard [Trade name]

Less...

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

2195795 [DBID]

33496_RIEDEL [DBID]

36885_RIEDEL [DBID]

AC 222705 [DBID]

BRN 2195795 [DBID]

C14524 [DBID]

Caswell No. 002AA [DBID]

EPA Pesticide Chemical Code 118301 [DBID]

HSDB 6647 [DBID]

More...

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

Miscellaneous
- Toxicity:
  
  Organic Compound; Pesticide; Nitrile; Organofluoride; Ether; Pyrethroid; Ester; Household Toxin; Synthetic Compound Toxin, Toxin-Target Database T3D1847

Gas Chromatography

Retention Index (Kovats):

3117 (estimated with error: 89) NIST Spectra mainlib_290489, replib_214106, replib_215737, replib_366546, replib_366547

Retention Index (Normal Alkane):

2844 (Program type: Complex; Column... (show more) class: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Description: 50 0C(1 min) ^ 25 0C/min -> 125 0C ^ 10 0C/min -> 300 0C (10 min); CAS no: 70124775; Active phase: 5 % Phenyl methyl siloxane; Carrier gas: Helium; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Department of Food Safety, Ministry of Health; Welfare, Analytical methods for residual compositional substances of agricultural chemicals, feed aadditives, and veterinary drugs in foods, 2006.) NIST Spectra nist ri

2847 (Program type: Complex; Column... (show more) class: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Description: 50 0C(1 min) ^ 25 0C/min -> 125 0C ^ 10 0C/min -> 300 0C (10 min); CAS no: 70124775; Active phase: 5 % Phenyl methyl siloxane; Carrier gas: Helium; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Department of Food Safety, Ministry of Health; Welfare, Analytical methods for residual compositional substances of agricultural chemicals, feed aadditives, and veterinary drugs in foods, 2006.) NIST Spectra nist ri

2871 (Program type: Complex; Column... (show more) class: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Description: 50 0C(1 min) ^ 25 0C/min -> 125 0C ^ 10 0C/min -> 300 0C (10 min); CAS no: 70124775; Active phase: 5 % Phenyl methyl siloxane; Carrier gas: Helium; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Department of Food Safety, Ministry of Health; Welfare, Analytical methods for residual compositional substances of agricultural chemicals, feed aadditives, and veterinary drugs in foods, 2006.) NIST Spectra nist ri

2874 (Program type: Complex; Column... (show more) class: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Description: 50 0C(1 min) ^ 25 0C/min -> 125 0C ^ 10 0C/min -> 300 0C (10 min); CAS no: 70124775; Active phase: 5 % Phenyl methyl siloxane; Carrier gas: Helium; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Department of Food Safety, Ministry of Health; Welfare, Analytical methods for residual compositional substances of agricultural chemicals, feed aadditives, and veterinary drugs in foods, 2006.) NIST Spectra nist ri

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:	1.2±0.1 g/cm³
Boiling Point:	545.1±50.0 °C at 760 mmHg
Vapour Pressure:	0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization:	82.4±3.0 kJ/mol
Flash Point:	283.5±30.1 °C
Index of Refraction:	1.553
Molar Refractivity:	118.5±0.3 cm³
#H bond acceptors:	5
#H bond donors:	0
#Freely Rotating Bonds:	11
#Rule of 5 Violations:	1

ACD/LogP:	6.18
ACD/LogD (pH 5.5):	6.04
ACD/BCF (pH 5.5):	22877.26
ACD/KOC (pH 5.5):	45924.81
ACD/LogD (pH 7.4):	6.04
ACD/BCF (pH 7.4):	22877.26
ACD/KOC (pH 7.4):	45924.81
Polar Surface Area:	69 Å²
Polarizability:	47.0±0.5 10^-24cm³
Surface Tension:	42.8±3.0 dyne/cm
Molar Volume:	370.1±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) =  6.56
    Log Kow (Exper. database match) =  6.20
       Exper. Ref:  Hansch,C et al. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  480.43  (Adapted Stein & Brown method)
    Melting Pt (deg C):  75.21  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  8.55E-008  (Modified Grain method)
    MP  (exp database):  < 25 deg C
    BP  (exp database):  108 @ 0.35 mm Hg deg C
    VP  (exp database):  8.70E-09 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.004019
       log Kow used: 6.20 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  0.06 mg/L (25 deg C)
        Exper. Ref:  WAUCHOPE,RD ET AL. (1991A)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.0046063 mg/L
    Wat Sol (Exper. database match) =  0.06
       Exper. Ref:  WAUCHOPE,RD ET AL. (1991A)

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Esters

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   3.75E-008  atm-m3/mole
   Group Method:   Incomplete
   Exper Database: 8.61E-08  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  1.264E-005 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  6.20  (exp database)
  Log Kaw used:  -5.453  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  11.653
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.4604
   Biowin2 (Non-Linear Model)     :   1.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.0902  (months      )
   Biowin4 (Primary Survey Model) :   3.4507  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.1964
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.1976
 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):  1.16E-006 Pa (8.7E-009 mm Hg)
  Log Koa (Koawin est  ): 11.653
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.59 
       Octanol/air (Koa) model:  0.11 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.989 
       Mackay model           :  0.995 
       Octanol/air (Koa) model:  0.898 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  46.6260 E-12 cm3/molecule-sec
      Half-Life =     0.229 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.753 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.992 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  5.532E+005
      Log Koc:  5.743 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
  Total Kb for pH > 8 at 25 deg C :  4.590E-003  L/mol-sec
  Kb Half-Life at pH 8:       4.785  years  
  Kb Half-Life at pH 7:      47.851  years  

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 4.074 (BCF = 1.186e+004)
       log Kow used: 6.20 (expkow database)

 Volatilization from Water:
    Henry LC:  8.61E-008 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River: 1.445E+004  hours   (602.1 days)
    Half-Life from Model Lake : 1.578E+005  hours   (6576 days)

 Removal In Wastewater Treatment:
    Total removal:              92.84  percent
    Total biodegradation:        0.77  percent
    Total sludge adsorption:    92.07  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       0.0468          5.51         1000       
   Water     2.37            1.44e+003    1000       
   Soil      37.5            2.88e+003    1000       
   Sediment  60              1.3e+004     0          
     Persistence Time: 4.29e+003 hr

Click to predict properties on the Chemicalize site

Patents	Personal Collections
Publication or Magazine Article	Web-based Article (blog or commentary)
Available Chemicals Databases	Biological Properties
Chemical Reactions	Chemical Safety Data
Drugs or Compounds in Development	Imaging Agents
Information Aggregators	Journal Publishers via MeSH
Ligand/binding/crystal Structure Databases	Metabolic Pathways
Molecular Libraries Screening Center Network	Natural Products
NIH Substance Repository	Physical Properties (including SAR/QSAR databases)
Protein 3D Structures	Spectroscopy Databases
Substance Vendors	Theoretical Properties
Toxicology/Environmental Databases	Virtual Library

Flucythrinate

More details:

Toxicity:

Retention Index (Kovats):

Retention Index (Normal Alkane):

Search ChemSpider:

Search Google: