Results for:
PubChem ID: 7394

1-chloro-4-(trifluoromethyl)benzene

Mass-Spectra

Compound Details

Synonymous names
4-Chlorobenzotrifluoride
98-56-6
p-Chlorobenzotrifluoride
1-CHLORO-4-(TRIFLUOROMETHYL)BENZENE
Benzene, 1-chloro-4-(trifluoromethyl)-
para-Chlorobenzotrifluoride
(p-Chlorophenyl)trifluoromethane
p-Chlorotrifluoromethylbenzene
1-(Trifluoromethyl)-4-chlorobenzene
p-Trifluoromethylphenyl chloride
4-Chloro-alpha,alpha,alpha-trifluorotoluene
p-(Trifluoromethyl)chlorobenzene
p-Chloro-a,a,a-trifluorotoluene
p-Chloro-alpha,alpha,alpha-trifluorotoluene
PARACHLOROBENZOTRIFLUORIDE
4-chloro-benzotrifluoride
NSC 10309
MFCD00000627
1219804-33-7
PCBTF
P-(TRIFLUOROMETHYL) CHLOROBENZENE
694YO34JHC
DTXSID7024821
NSC-10309
4-CHLORO-A,A,A-TRIFLUOROTOLUENE-D4
4-Chloro-.alpha.,.alpha.,.alpha.-trifluorotoluene
DTXCID004821
Toluene, p-chloro-.alpha.,.alpha.,.alpha.-trifluoro-
4-Chloro-a,a,a-trifluorotoluene
CAS-98-56-6
4-trifluoromethylchlorobenzene
CCRIS 720
para-Chlorotrifluoromethylbenzene
HSDB 4251
EINECS 202-681-1
BRN 0510203
UNII-694YO34JHC
alpha,alpha,alpha-Trifluoro-4-chlorotoluene
(4-chlorophenyl)trifluoromethane
para-Chloro-alpha,alpha,alpha-trifluorotoluene
Toluene, p-chloro-alpha,alpha,alpha-trifluoro-
4-(TRIFLUOROMETHYL)CHLOROBENZENE
4-Chlorobenzotrifuoride
4-chlorobenzo-trifluoride
EC 202-681-1
SCHEMBL196588
4-chloro trifluoromethylbenzene
4-trifluoromethyl chlorobenzene
4-Chlorobenzotrifluoride, 98%
CHEMBL1797001
1-chloro-4-trifluoromethylbenzene
1-trifluoromethyl-4-chlorobenzene
chloro-4-(trifluoromethyl)benzene
CHLOROBENZOTRIFLUORIDE, P-
BCP24446
NSC10309
Tox21_201445
Tox21_303261
P-CHLOROBENZOTRIFLUORIDE [MI]
STL268887
AKOS005067495
AM87507
NCGC00091724-01
NCGC00091724-02
NCGC00091724-03
NCGC00257114-01
NCGC00258996-01
AC-10097
4-Chloro-.alpha.,.alpha.-trifluorotoluene
p-Chloro-.alpha.,.alpha.-trifluorotoluene
NS00002149
EN300-20053
G77196
p-Chloro-.alpha.,.alpha.,.alpha.-trifluorotoluene
Q410670
1-CHLORO-4-(TRIFLUOROMETHYL)BENZENE [HSDB]
W-100075
CHLORO-ALPHA,ALPHA,ALPHA-TRIFLUOROTOLUENE, 4-
(p-Chlorophenyl)trifluoromethane;4-Chlorobenzyltrifluoride;
N-(2,4-dimethylphenyl)-3-hydroxy-naphthalene-2-carboxamide
InChI=1/C7H4ClF3/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4
1-Chloro-4-(trifluoromethyl)benzene, 4-Chloro-alpha,alpha,alpha-trifluorotoluene
1-chloro-4-(trifluoromethyl)benzene; 4-Chloro-alpha,alpha,alpha-trifluorotoluene; (p-Chlorophenyl)trifluoromethane; p-Chlorotrifluoromethylbenzene; p-(Trifluoro
Microorganism:

No

IUPAC name1-chloro-4-(trifluoromethyl)benzene
SMILESC1=CC(=CC=C1C(F)(F)F)Cl
InchiInChI=1S/C7H4ClF3/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H
FormulaC7H4ClF3
PubChem ID7394
Molweight180.55
LogP3.8
Atoms11
Bonds0
H-bond Acceptor3
H-bond Donor0
Chemical Classificationbenzenoids halogenated compounds
Supernatural-IDSN0315522

mVOC Specific Details

Boiling Point
DegreeReference
139.3 °C peer reviewed
Volatilization
The Henry's Law constant for 1-chloro-4-(trifluoromethyl)benzene is estimated as 3.5X10-2 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that 1-chloro-4-(trifluoromethyl)benzene 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 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 5 days(SRC). 1-Chloro-4-(trifluoromethyl)benzene's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). 1-Chloro-4-(trifluoromethyl)benzene is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 7.63 mm Hg(3).
Literature: (1) Meylan WM, Howard PH; Environ Toxicol Chem 10: 1283-93 (1991) (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 Vol. 3 New York, NY: Hemisphere Pub Corp (1989)
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc of 1-chloro-4-(trifluoromethyl)benzene can be estimated to be 1600(SRC). According to a classification scheme(2), this estimated Koc value suggests that 1-chloro-4-(trifluoromethyl)benzene is expected to have low mobility in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.0. Jan, 2009. Available from, as of Sept 20, 2010: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
7.63 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.

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaLaccaria Bicolorn/aNAMueller et al. 2013
EukaryotaPaxillus Involutusn/aNAMueller et al. 2013
EukaryotaArmillaria Mellean/aNAMueller et al. 2013
EukaryotaPholiota Squarrosan/aNAMueller et al. 2013
EukaryotaVerticillium Longisporumn/aNAMueller et al. 2013
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaLaccaria BicolorMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MSno
EukaryotaPaxillus InvolutusMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MSno
EukaryotaArmillaria MelleaMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MSno
EukaryotaPholiota SquarrosaMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MSno
EukaryotaVerticillium LongisporumMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MSno