ChemSpider 2D Image | Fluorescamine | C17H10O4

Fluorescamine

  • Molecular FormulaC17H10O4
  • Average mass278.259 Da
  • Monoisotopic mass278.057922 Da
  • ChemSpider ID34768

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

253-814-5 [EINECS]
38183-12-9 [RN]
4'-Phenyl-3H,3'H-spiro[2-benzofuran-1,2'-furan]-3,3'-dion [German] [ACD/IUPAC Name]
4'-Phenyl-3H,3'H-spiro[2-benzofuran-1,2'-furan]-3,3'-dione [ACD/IUPAC Name]
4'-Phényl-3H,3'H-spiro[2-benzofuran-1,2'-furan]-3,3'-dione [French] [ACD/IUPAC Name]
4-PHENYLSPIRO(FURAN-2(3H),1'(3'H)-ISOBENZOFURAN)-3,3'-DIONE
4-Phenylspiro[furan-2(3H),1'(3'H)isobenzofuran]-3,3'-dione
4-Phenylspiro[furan-2(3H),1'-phthalan]-3,3'-dione
Fluorescamine [Wiki]
fluram [Trade name]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

47614_FLUKA [DBID]
F9015_SIGMA [DBID]
  • Experimental Physico-chemical Properties
  • Predicted Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      Off-white to yellow powder Chemodex F0003
      white powder Oxford University Chemical Safety Data (No longer updated) More details
    • Stability:

      Stable. Incompatible with strong oxidizing agents. Oxford University Chemical Safety Data (No longer updated) More details
    • Safety:

      CAUTION: May irritate eyes, skin, and respiratory tract Alfa Aesar 43749
      Safety glasses. Adequate ventilation. Oxford University Chemical Safety Data (No longer updated) More details
    • Bio Activity:

      Biochemical assay reagents MedChem Express HY-D0715
      Biochemical Reagent MedChem Express HY-D0715
      Biochemical Reagent; MedChem Express HY-D0715
      Fluram(Fluorescamine; Ro 20-7234) is a spiro compound that is not fluorescent itself, but reacts with primary amines to form highly fluorescent products. MedChem Express HY-D0715
      Fluram(Fluorescamine; Ro 20-7234) is a spiro compound that is not fluorescent itself, but reacts with primary amines to form highly fluorescent products. It hence has been used as a reagent for the detection of amines and peptides. MedChem Express HY-D0715
  • Gas Chromatography

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

Density: 1.4±0.1 g/cm3
Boiling Point: 550.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.0±3.0 kJ/mol
Flash Point: 248.5±30.2 °C
Index of Refraction: 1.687
Molar Refractivity: 73.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.95
ACD/LogD (pH 5.5): 2.49
ACD/BCF (pH 5.5): 46.13
ACD/KOC (pH 5.5): 540.40
ACD/LogD (pH 7.4): 2.49
ACD/BCF (pH 7.4): 46.13
ACD/KOC (pH 7.4): 540.40
Polar Surface Area: 53 Å2
Polarizability: 29.3±0.5 10-24cm3
Surface Tension: 63.5±5.0 dyne/cm
Molar Volume: 194.2±5.0 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) =  2.90

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  447.82  (Adapted Stein & Brown method)
    Melting Pt (deg C):  176.55  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.65E-008  (Modified Grain method)
    MP  (exp database):  154.5 deg C
    Subcooled liquid VP: 5.57E-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):  54.7
       log Kow used: 2.90 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  22.684 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   4.41E-011  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.774E-010 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.90  (KowWin est)
  Log Kaw used:  -8.744  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  11.644
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.3929
   Biowin2 (Non-Linear Model)     :   0.3386
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.5032  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4947  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4950
   Biowin6 (MITI Non-Linear Model):   0.3044
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.6896
 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):  7.43E-005 Pa (5.57E-007 mm Hg)
  Log Koa (Koawin est  ): 11.644
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.0404 
       Octanol/air (Koa) model:  0.108 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.593 
       Mackay model           :  0.764 
       Octanol/air (Koa) model:  0.896 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 107.4221 E-12 cm3/molecule-sec
      Half-Life =     0.100 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.195 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    10.500000 E-17 cm3/molecule-sec
      Half-Life =     0.109 Days (at 7E11 mol/cm3)
      Half-Life =      2.619 Hrs
   Fraction sorbed to airborne particulates (phi): 0.679 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  172.9
      Log Koc:  2.238 

 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 = 1.533 (BCF = 34.13)
       log Kow used: 2.90 (estimated)

 Volatilization from Water:
    Henry LC:  4.41E-011 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 2.215E+007  hours   (9.228E+005 days)
    Half-Life from Model Lake : 2.416E+008  hours   (1.007E+007 days)

 Removal In Wastewater Treatment:
    Total removal:               4.92  percent
    Total biodegradation:        0.12  percent
    Total sludge adsorption:     4.81  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       0.000701        1.25         1000       
   Water     13.3            900          1000       
   Soil      86.4            1.8e+003     1000       
   Sediment  0.244           8.1e+003     0          
     Persistence Time: 1.74e+003 hr




                    

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