1-(4-Bromophenyl)ethanone
CC(=O)c1ccc(cc1)Br CopyCopied
InChI=1S/C8H7BrO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,1H3 CopyCopied
WYECURVXVYPVAT-UHFFFAOYSA-N CopyCopied
Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts
P-Bromoacetophenone [Wiki]
1-(4-bromophenyl)ethan-1-one
1-(4-bromophenyl)ethanone [ACD/IUPAC Name]
1-(4-Bromo-phenyl)-ethanone
4′-bromoacetophenone
4'-bromoacetophenone
4-bromoacetophenone
Acetophenone, 4'-bromo-
Ethanone, 1- (4-bromophenyl)-
Ethanone, 1-(4-bromophenyl)-
Methyl p-bromophenyl ketone
para-bromoacetophenon
para-bromoacetophenone
p-Bromophenyl methyl ketone
Acetophenone, 4'-bromo- (8CI)
(4-Bromophenyl)acetaldehyde
1-(4-bromophenyl)ethanol [ACD/IUPAC Name]
1122-91-4 [RN]
1-acetyl-4-bromobenzene
202-799-3 [EINECS]
202-800-7 [EINECS]
202-801-2 [EINECS]
27200-79-9 [RN]
386015
4¡ä-Bromoacetophenone
4-07-00-00639 (Beilstein Handbook Reference) [Beilstein]
4-14-00-00100 (Beilstein Handbook Reference) [Beilstein]
4-Aminoacetophenone
4'-Bromoacetophenone1-(4-Bromophenyl)ethanone1-Acetyl-4-Bromobenzene
4-bromobenzaldehyde [ACD/IUPAC Name]
4-BROMOPHENYL METHYL KETONE
99-90-1 [RN]
99-91-2 [RN]
99-92-3 [RN]
acetophenone, 4-bromo-
METHYL 4-BROMOPHENYL KETONE
PBP
p-phenacylbromide
16110_FLUKA [DBID]
AE-641/02305020 [DBID]
AI3-00489 [DBID]
AI3-01092 [DBID]
AI3-01370 [DBID]
AIDS017941 [DBID]
AIDS-017941 [DBID]
AIDS017953 [DBID]
AIDS-017953 [DBID]
AIDS019990 [DBID]
AIDS-019990 [DBID]
B56404_ALDRICH [DBID]
BRN 0386014 [DBID]
BRN 0471493 [DBID]
c0417 [DBID]
C06647 [DBID]
CCRIS 5061 [DBID]
HSDB 2088 [DBID]
HSDB 2711 [DBID]
MFCD00000105 [DBID]
nchembio775-comp7 [DBID]
NSC 17541 [DBID]
NSC 3242 [DBID]
NSC 6115 [DBID]
NSC17541 [DBID]
NSC3242 [DBID]
NSC6115 [DBID]
USAF DO-1 [DBID]
USAF EK-631 [DBID]
ZINC00080820 [DBID]
ZINC00157539 [DBID]
ZINC00896324 [DBID]
Data supplied by datasources and users.
Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.
Predicted data is generated using the US Environmental Protection Agency’s EPISuite™, for more information see their website.
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 2.56 Log Kow (Exper. database match) = 2.43 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 240.54 (Adapted Stein & Brown method) Melting Pt (deg C): 41.11 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0108 (Modified Grain method) MP (exp database): 50.5 deg C BP (exp database): 257 deg C Subcooled liquid VP: 0.0186 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): 372.1 log Kow used: 2.43 (expkow database) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1728.9 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.91E-006 atm-m3/mole Group Method: 4.55E-006 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 7.602E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.43 (exp database) Log Kaw used: -3.796 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.226 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5493 Biowin2 (Non-Linear Model) : 0.1247 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6008 (weeks-months) Biowin4 (Primary Survey Model) : 3.3848 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4378 Biowin6 (MITI Non-Linear Model): 0.4049 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.0171 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): 2.48 Pa (0.0186 mm Hg) Log Koa (Koawin est ): 6.226 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.21E-006 Octanol/air (Koa) model: 4.13E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 4.37E-005 Mackay model : 9.68E-005 Octanol/air (Koa) model: 3.3E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 1.2209 E-12 cm3/molecule-sec Half-Life = 8.761 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 105.127 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 7.02E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 74.82 Log Koc: 1.874 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 = 0.331 (BCF = 2.143) log Kow used: 2.43 (expkow database) Volatilization from Water: Henry LC: 4.55E-006 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 183 hours (7.624 days) Half-Life from Model Lake : 2114 hours (88.1 days) Removal In Wastewater Treatment: Total removal: 3.16 percent Total biodegradation: 0.10 percent Total sludge adsorption: 2.81 percent Total to Air: 0.25 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 2.62 210 1000 Water 23.5 900 1000 Soil 73.8 1.8e+003 1000 Sediment 0.17 8.1e+003 0 Persistence Time: 955 hr
Click to predict properties on the Chemicalize site
