There will be scheduled maintenance work beginning on Wednesday 26th February 2020 from 11:00 AM through to 12.00 PM (GMT).

During this time, you may not be able to log into ChemSpider. We apologise for any inconvenience this might cause and thank you for your patience.

ChemSpider 2D Image | CY9032000 | C8H9Br


  • Molecular FormulaC8H9Br
  • Average mass185.061 Da
  • Monoisotopic mass183.988754 Da
  • ChemSpider ID7383

More details:

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

(2-Bromethyl)benzol [German] [ACD/IUPAC Name]
(2-Bromoethyl)benzene [ACD/IUPAC Name]
(2-Bromoéthyl)benzène [French] [ACD/IUPAC Name]
103-63-9 [RN]
1-phenethyl bromide
203-130-8 [EINECS]
2-Phenylethyl bromide
Benzene, (2-bromoethyl)- [ACD/Index Name]
Benzene, (bromomethyl)methyl-

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

96O442668X [DBID]
MFCD00000240 [DBID]
81535_FLUKA [DBID]
AI3-11264 [DBID]
HSDB 5352 [DBID]
MFCD00156128 [DBID]
NCGC00090999-01 [DBID]
NSC 33926 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      Not Available Novochemy [NC-30259]
    • Safety:

      20/21/22 Novochemy [NC-30259]
      20/21/36/37/39 Novochemy [NC-30259]
      22-36/37/38 Alfa Aesar A12528
      26-36/37 Alfa Aesar A12528
      26-36/37-60 Alfa Aesar A12528
      GHS07 Biosynth W-108845
      GHS07; GHS09 Novochemy [NC-30259]
      H302; H319 Biosynth W-108845
      H302-H315-H319-H335 Alfa Aesar A12528
      H304; H332; H403 Novochemy [NC-30259]
      P261-P280-P305+P351+P338-P304+P340-P405-P501a Alfa Aesar A12528
      P305+P351+P338 Biosynth W-108845
      P332+P313; P305+P351+P338 Novochemy [NC-30259]
      R22 Novochemy [NC-30259]
      Warning Alfa Aesar A12528
      Warning Biosynth W-108845
      Warning Novochemy [NC-30259]
      WARNING: Irritates skin and eyes, harmful if swallowed Alfa Aesar A12528
  • Gas Chromatography
    • Retention Index (Kovats):

      1189 (estimated with error: 62) NIST Spectra mainlib_228697, replib_58851, replib_107636, replib_7827, replib_335246
      1219 (Program type: Isothermal; Col... (show more) umn class: Semi-standard non-polar; Column length: 2.25 m; Column type: Packed; Start T: 130 C; CAS no: 103639; Active phase: Apiezon L; Substrate: Celite; Data type: Kovats RI; Authors: Wehrli, A.; Kovats, E., Gas-chromatographische Charakterisierung ogranischer Verbindungen. Teil 3: Berechnung der Retentionsindices aliphatischer, alicyclischer und aromatischer Verbindungen, Helv. Chim. Acta, 7, 1959, 2709-2736.) NIST Spectra nist ri

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

Density: 1.4±0.1 g/cm3
Boiling Point: 220.5±0.0 °C at 760 mmHg
Vapour Pressure: 0.2±0.4 mmHg at 25°C
Enthalpy of Vaporization: 43.8±3.0 kJ/mol
Flash Point: 89.4±0.0 °C
Index of Refraction: 1.556
Molar Refractivity: 43.5±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.09
ACD/LogD (pH 5.5): 3.15
ACD/BCF (pH 5.5): 145.71
ACD/KOC (pH 5.5): 1230.91
ACD/LogD (pH 7.4): 3.15
ACD/BCF (pH 7.4): 145.71
ACD/KOC (pH 7.4): 1230.91
Polar Surface Area: 0 Å2
Polarizability: 17.3±0.5 10-24cm3
Surface Tension: 37.9±3.0 dyne/cm
Molar Volume: 135.4±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) =  3.37
    Log Kow (Exper. database match) =  3.09
       Exper. Ref:  Hansch,C et al. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  215.31  (Adapted Stein & Brown method)
    Melting Pt (deg C):  2.52  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.138  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -65.7 deg C
    BP  (exp database):  219 deg C
    VP  (exp database):  2.45E-01 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  119.5
       log Kow used: 3.09 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  39 mg/L (25 deg C)
        Exper. Ref:  MACKAY,D & SHIU,WY (1981)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  45.124 mg/L
    Wat Sol (Exper. database match) =  39.00
       Exper. Ref:  MACKAY,D & SHIU,WY (1981)

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   9.10E-004  atm-m3/mole
   Group Method:   1.69E-004  atm-m3/mole
   Exper Database: 1.52E-03  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  2.812E-004 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.09  (exp database)
  Log Kaw used:  -1.207  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  4.297
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7960
   Biowin2 (Non-Linear Model)     :   0.1563
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7663  (weeks       )
   Biowin4 (Primary Survey Model) :   3.5525  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2931
   Biowin6 (MITI Non-Linear Model):   0.0782
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.8404
 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):  32.7 Pa (0.245 mm Hg)
  Log Koa (Koawin est  ): 4.297
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  9.18E-008 
       Octanol/air (Koa) model:  4.86E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.32E-006 
       Mackay model           :  7.35E-006 
       Octanol/air (Koa) model:  3.89E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   5.5964 E-12 cm3/molecule-sec
      Half-Life =     1.911 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    22.935 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 5.33E-006 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  955
      Log Koc:  2.980 

 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 = 1.679 (BCF = 47.79)
       log Kow used: 3.09 (expkow database)

 Volatilization from Water:
    Henry LC:  0.00152 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      1.912  hours
    Half-Life from Model Lake :      134.9  hours   (5.622 days)

 Removal In Wastewater Treatment:
    Total removal:              41.53  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     5.11  percent
    Total to Air:               36.32  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       7.41            45.9         1000       
   Water     21.1            360          1000       
   Soil      71              720          1000       
   Sediment  0.418           3.24e+003    0          
     Persistence Time: 316 hr


Click to predict properties on the Chemicalize site