Found 488 results

Search term: MF = 'C_{10}H_{8}Cl_{2}N_{4}O'
ChemSpider 2D Image | 3-(3,4-Dichlorophenyl)-1H-pyrazole-5-carbohydrazide | C10H8Cl2N4O

3-(3,4-Dichlorophenyl)-1H-pyrazole-5-carbohydrazide

  • Molecular FormulaC10H8Cl2N4O
  • Average mass271.103 Da
  • Monoisotopic mass270.007507 Da
  • ChemSpider ID3925318

More details:

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

1046160-16-0 [RN]
1H-Pyrazole-3-carboxylic acid, 5-(3,4-dichlorophenyl)-, hydrazide
1H-Pyrazole-5-carboxylic acid, 3-(3,4-dichlorophenyl)-, hydrazide [ACD/Index Name]
3-(3,4-Dichlorophenyl)-1H-pyrazole-5-carbohydrazide [ACD/IUPAC Name]
3-(3,4-Dichlorophényl)-1H-pyrazole-5-carbohydrazide [French] [ACD/IUPAC Name]
3-(3,4-Dichlorphenyl)-1H-pyrazol-5-carbohydrazid [German] [ACD/IUPAC Name]
5-(3,4-dichlorophenyl)-1H-pyrazole-3-carbohydrazide
5-(3,4-dichlorophenyl)-2H-pyrazole-3-carbohydrazide
5-(3,4-Dichloro-phenyl)-1 H -pyrazole-3-carboxylic
5-(3,4-Dichloro-phenyl)-1 H -pyrazole-3-carboxylic acid hydrazide
More...

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

ZINC04243753 [DBID]

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

    Density: 1.5±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.661
    Molar Refractivity: 65.7±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 4
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.26
    ACD/LogD (pH 5.5): 1.24
    ACD/BCF (pH 5.5): 5.14
    ACD/KOC (pH 5.5): 112.24
    ACD/LogD (pH 7.4): 1.24
    ACD/BCF (pH 7.4): 5.10
    ACD/KOC (pH 7.4): 111.53
    Polar Surface Area: 84 Å2
    Polarizability: 26.0±0.5 10-24cm3
    Surface Tension: 67.1±3.0 dyne/cm
    Molar Volume: 177.7±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) =  1.49

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  498.66  (Adapted Stein & Brown method)
    Melting Pt (deg C):  211.97  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  3.05E-010  (Modified Grain method)
    Subcooled liquid VP: 2.97E-008 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):  955.1
       log Kow used: 1.49 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1.0549e+005 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   2.67E-016  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.139E-013 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.49  (KowWin est)
  Log Kaw used:  -13.962  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  15.452
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.2536
   Biowin2 (Non-Linear Model)     :   0.0076
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.1869  (months      )
   Biowin4 (Primary Survey Model) :   3.1259  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.4222
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.3502
 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):  3.96E-006 Pa (2.97E-008 mm Hg)
  Log Koa (Koawin est  ): 15.452
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.758 
       Octanol/air (Koa) model:  695 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.965 
       Mackay model           :  0.984 
       Octanol/air (Koa) model:  1 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  20.0283 E-12 cm3/molecule-sec
      Half-Life =     0.534 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     6.409 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.974 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  592.2
      Log Koc:  2.772 

 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 = 0.450 (BCF = 2.818)
       log Kow used: 1.49 (estimated)

 Volatilization from Water:
    Henry LC:  2.67E-016 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 3.611E+012  hours   (1.504E+011 days)
    Half-Life from Model Lake : 3.939E+013  hours   (1.641E+012 days)

 Removal In Wastewater Treatment:
    Total removal:               1.97  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.88  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       1.05e-007       12.8         1000       
   Water     34.8            1.44e+003    1000       
   Soil      65.1            2.88e+003    1000       
   Sediment  0.0889          1.3e+004     0          
     Persistence Time: 1.49e+003 hr

    Click to predict properties on the Chemicalize site


    Advertisement