Results for:
PubChem ID: 7964

Chlorobenzene

Mass-Spectra

Compound Details

Synonymous names
chloranylbenzene
Monochloorbenzeen
Monochlorbenzene
Monochlorobenzene
Monochlorobenzol
Monoclorobenzene
Monochlorbenzol
Chloorbenzeen
Chlorbenzene
Chlorobenzen
CHLOROBENZENE
Chlorobenzenu
Chlorobenzol
Clorobenzene
Chlorbenzol
Chlorinated benzenes
Chlorobenzene Mono
MVPPADPHJFYWMZ-UHFFFAOYSA-N
Benzene chloride
Chlorobenzene, analytical standard
Phenyl chloride
chloro benzene
chloro-benzene
PhCl
Benzene, chlorinated
MCB
Tetrosin SP
1-chlorobenzene
3-chlorobenzene
4-chlorobenzene
CHLOROBENZENE, ACS
8CL
AC1L1PYI
Chlorobenzene, HPLC Grade
Monochloorbenzeen [Dutch]
Monoclorobenzene [Italian]
Benzene,chloro-
Monochlorbenzol [German]
Chloorbenzeen [Dutch]
Chlorobenzen [Polish]
CHLOROBENZENE- D5
Chlorobenzene, pharmaceutical secondary standard; traceable to USP
Chlorobenzenu [Czech]
Clorobenzene [Italian]
4-chloro-benzene
Abluton T30
Chlorobenzene, mono-
ACMC-1BUC8
SCHEMBL2044
Benzene, chloro-
HSDB 55
PHENYL, CHLORO-
WLN: GR
Benzene, chloro derivs.
CHEMBL16200
CP 27
LS-18
NSC8433
UN1134
C1948
S0645
X5840
BIDD:ER0289
RP19079
bmse001030
C06990
CCRIS 1357
DSSTox_CID_298
K18102WN1G
ZINC896527
Chlorobenzene, LR, >=99%
DTXSID4020298
IP Carrier T 40
NSC 8433
NSC-8433
OR000352
OR204438
OR260870
OR260871
OR327460
SBB040899
STL282731
UN 1134
ZB015093
A801940
CHEBI:28097
NCI-C54886
PHENYL, 2-CHLORO-
PHENYL, 3-CHLORO-
UNII-K18102WN1G
AN-42914
ANW-15992
Caswell No. 183A
DSSTox_GSID_20298
KB-76052
SC-22605
TRA0015176
TRA0100646
DSSTox_RID_75497
MFCD00000530
ZINC00896527
AI3-07776
Chlorobenzene, anhydrous, 99.8%
Chlorobenzene, ReagentPlus(R), 99%
I P Carrier T 40
RTR-002006
ST50214500
TR-002006
AKOS000120122
EPA Pesticide Chemical Code 056504
I01-1941
J-002203
J-520025
RCRA waste no. U037
Chlorobenzene, ACS reagent, >=99.5%
Chlorobenzene, AR, >=99.5%
FT-0615503
FT-0623633
FT-0652436
FT-0657623
Chlorobenzene, UV HPLC spectroscopic, 99.5%
Chlorobenzene, SAJ special grade, >=99.5%
Tox21_201223
108-90-7
Chlorobenzene, for HPLC, 99.9%
Chlorobenzene, SAJ first grade, >=99.0%
F0001-0183
Chlorobenzene [UN1134] [Flammable liquid]
CHLOROBENZENE,99.5%,EXTRA DRY OVER MOLECULAR SIEVE,ACROSEAL(R)
MCULE-2469021740
NCGC00091678-01
NCGC00091678-02
NCGC00258775-01
CAS-108-90-7
EINECS 203-628-5
EINECS 270-127-6
50717-45-8
68411-45-0
Chlorobenzene [UN1134] [Flammable liquid]
EC 203-628-5
Chlorobenzene, p.a., 99.5%
5773-EP2269986A1
5773-EP2269990A1
5773-EP2269995A1
5773-EP2270004A1
5773-EP2270101A1
5773-EP2270113A1
5773-EP2272813A2
5773-EP2272832A1
5773-EP2272849A1
5773-EP2272935A1
5773-EP2274983A1
5773-EP2275395A2
5773-EP2275403A1
5773-EP2275407A1
5773-EP2275409A1
5773-EP2275411A2
5773-EP2275469A1
5773-EP2279750A1
5773-EP2280001A1
5773-EP2280005A1
5773-EP2281817A1
5773-EP2281821A1
5773-EP2284165A1
5773-EP2284174A1
5773-EP2286811A1
5773-EP2287155A1
5773-EP2287167A1
5773-EP2287940A1
5773-EP2289509A2
5773-EP2289868A1
5773-EP2289884A1
5773-EP2289890A1
5773-EP2289965A1
5773-EP2292592A1
5773-EP2292597A1
5773-EP2292606A1
5773-EP2295414A1
5773-EP2295425A1
5773-EP2295426A1
5773-EP2295427A1
5773-EP2298729A1
5773-EP2298735A1
5773-EP2298745A1
5773-EP2298746A1
5773-EP2298755A1
5773-EP2298756A1
5773-EP2298763A1
5773-EP2298768A1
5773-EP2298770A1
5773-EP2298828A1
5773-EP2301918A1
5773-EP2301924A1
5773-EP2301934A1
5773-EP2301983A1
5773-EP2305649A1
5773-EP2305658A1
5773-EP2305667A2
5773-EP2305673A1
5773-EP2305675A1
5773-EP2305682A1
5773-EP2308838A1
5773-EP2308849A1
5773-EP2308850A1
5773-EP2308857A1
5773-EP2308879A1
5773-EP2308882A1
5773-EP2308926A1
5773-EP2309564A1
5773-EP2309584A1
5773-EP2311804A2
5773-EP2311808A1
5773-EP2311809A1
5773-EP2311811A1
5773-EP2311813A1
5773-EP2311829A1
5773-EP2311834A1
5773-EP2314558A1
5773-EP2314574A1
5773-EP2314577A1
5773-EP2314581A1
5773-EP2371808A1
5773-EP2371831A1
5773-EP2374783A1
5773-EP2374895A1
5773-EP2377610A2
5773-EP2377611A2
5773-EP2377841A1
5773-EP2380568A1
MolPort-000-872-062
37376-EP2311802A1
37376-EP2311803A1
77825-EP2272846A1
77825-EP2277868A1
77825-EP2277869A1
77825-EP2277870A1
77825-EP2284166A1
77825-EP2292608A1
77825-EP2295436A1
77825-EP2298749A1
77825-EP2298769A1
77825-EP2308866A1
77825-EP2371806A1
77825-EP2371807A1
77825-EP2374784A1
77825-EP2374785A1
Chlorobenzene, anhydrous, ZerO2(TM), 99.8%
152544-EP2269986A1
152544-EP2289896A1
152544-EP2289897A1
152544-EP2371831A1
Chlorobenzene, ACS, 99.5% min. 500ml
Chlorobenzene, puriss. p.a., ACS reagent, >=99.5% (GC)
InChI=1/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5
Chlorobenzene, puriss., absolute, over molecular sieve (H2O <=0.005%), >=99.5% (GC)
Microorganism:

Yes

IUPAC namechlorobenzene
SMILESC1=CC=C(C=C1)Cl
InchiInChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H
FormulaC6H5Cl
PubChem ID7964
Molweight112.56
LogP2.58
Atoms12
Bonds12
H-bond Acceptor0
H-bond Donor0
Chemical ClassificationAlkane benzenoids halogenated compounds

mVOC Specific Details

Volatilization
The measured Henry's Law constant for chlorobenzene is 3.11X10-3 atm-cu m/mole at 25 deg C(1). This Henry's Law constant indicates that chlorobenzene is expected to volatilize rapidly from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 3.4 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 4.3 days(SRC). Chlorobenzene's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Chlorobenzene is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 12 mm Hg(3). Chlorobenzene applied to soil at a uniform concentration of 1 kg/ha at depths of 1 cm and 10 cm underwent 86.5 and 23.4% loss, respectively, in a day; volatilization half-lives of 0.3 and 12.6 days, respectively, were estimated from this data(4). Volatilization half-lives of 13, 21, and 4.6 days were estimated for chlorobenzene using data obtained from an experimental marine mesocosm under simulated winter, spring, and summer conditions, respectively(5). Chlorobenzene was removed within 8 days in sterile pond water incubated in bottles open to the atmosphere(6). Volatilization rates of chlorobenzene from the wastewater-dependent constructed Tres Rios Demonstration Wetlands near Phoenix, AZ ranged from 5.11X10-6 to 8.48X10-6 sec-1, corresponding to a half-life of approximately 9 hours(7). In a closed aerated laboratory system simulating arable soil exposed to 14-C radio-labeled chlorobenzene, analysis of trapped 14-CO2 and 14-C chlorobenzene gas indicated that volatilization was the main loss mechanism with mineralization having minor importance(8).
Literature: (1) Shiu WY, Mackay D; J Chem Eng Data 42: 27-30 (1997) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals: Data Compilation. Design Inst Phys Prop Data, Amer Inst Chem Eng., New York, NY: Hemisphere Pub Corp, Vol 3 (1987) (4) Jury WA et al; J Environ Qual 13: 572-9 (1984) (5) Wakeham SG et al; Environ Sci Technol 17: 611-7 (1983) (6) Bouwer EJ; J Environ Eng 115: 741-55 (1989) (7) Keefe SH et al; Environ Sci Technol 38: 2209-26 (2004) (8) Brahushi F et al; Fresenius Environmental Bulletin 11(9a): 599-604 (2002)
Soil Adsorption
Koc values of 313.1 and 146.5 were measured on Captina silt loam (1.49% organic carbon) and McLaurin sandy loam, (0.66% organic carbon), respectively(1). Equilibrium sorption constant (Ks) values of 0.295 and 0.09 were determined in Eustis fine sand (13 g/kg clay, 32 g/kg silt, 955 g/kg sand, 3.9 g/kg organic carbon) and Tampa (6 g/kg clay, 23 g/kg silt, 971 g/kg sand, and 1.3 g/kg organic carbon) soils, respectively(2); corresponding Koc values are 76 and 69(SRC). Equilibrium sorption coefficients of 0.014 and 10.20 were measured on Borden (98% sand, 1% silt, 1% clay, 0.29% organic carbon) and Mt. Lemmon (60.3% sand, 24.0% silt, 15.7% clay, 12.6% organic carbon) soils, respectively(3); corresponding Koc values are 4.8 and 81(SRC). According to a classification scheme(4), these Koc values suggest that chlorobenzene is expected to have moderate to very high mobility in soil(SRC). The sorption isotherm for chlorobenzene onto muck soil (49.0% organic carbon) was linear(5). A Kd value of 166.34 was measured for chlorobenzene using dewatered activated sludge (18% solids) that had been dried and sieved; 3.28% of the chlorobenzene was desorbed during the desorption phase of the experiment(6). Partition coefficients of 0.35, 0.33, and 0.38 were measured for chlorobenzene on primary sludge, mixed liquor solids, and digested sludge, respectively(7). Sorption coefficients of 0.48 and 0.29 were measured on primary sludge and anaerobically digested sludge, respectively(8). Partition coefficients of 48 and 29 were measured in high organic carbon (14.5%) and low organic carbon (3.6%) Sherman Island sediments, respectively(9).
Literature: (1) Walton BT et al; J Environ Qual 21: 552-8 (1992) (2) Brusseau ML; Environ Toxicol Chem 12: 1835-46 (1993) (3) Hu Q et al; Environ Toxicol Chem 14: 1133-40 (1995) (4) Swann RL et al; Res Rev 85: 23 (1983) (5) Sheng G et al; Environ Sci Technol 30: 1553-7 (1996) (6) Selvakumar A, Hsieh HN; Int J Environ Stud 30: 313-9 (1987) (7) Dobbs RA et al; Int Conf Innovative Biol Treat Toxic Wastewaters; Scholze, RJ Jr, eds; pp 585-601 (1987) (8) Dobbs RA et al; Environ Sci Technol 23: 1092-7 (1989) (9) Knezovich JP, Harrison FL; Ecotoxicol Environ Safety 15: 226-41 (1988)
Vapor Pressure
PressureReference
12.0 mm Hg at 25 deg CDaubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.
MS-Links
1D-NMR-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaCollimonas Fungivorans Ter331n/aGarbeva et al., 2013
BacteriaSerratia Plymuthica PRI-2Cnamaize rhizosphere, NetherlandsGarbeva et al., 2014
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaCollimonas Fungivorans Ter331Headspace trapping/GC-MS
BacteriaSerratia Plymuthica PRI-2Csand containing artificial root exudatesGC/MSNo