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p-Chlorobenzotrifluoride ( CASNO:98-56-6 )

Identification and Related Records
Name:
p-Chlorobenzotrifluoride
CAS Registry number:
98-56-6
Synonyms:
4-Chloro-alpha,alpha,alpha-trifluorotoluene
PCBTF
4 chloro benzo trifluoride
1-chloro-4-(trifluoromethyl)benzene
4-chlorobenzotrifluoride
(p-chlorophenyl)trifluoromethane
p-chlorotrifluoromethylbenzene
p-(trifluoromethyl)chlorobenzene
4-chloro-α,α,α-trifluorotoluene
EINECS(EC#):
202-681-1
Molecular Formula:
C7H4ClF3
Molecular Weight:
180.55
Inchi:
InChI=1/C7H4ClF3/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H
InChIKey:
QULYNCCPRWKEMF-UHFFFAOYSA-N
Chemical and Physical Properties
Appearance:
Clear liquid
Density:
1.353
Melting Point:
-36℃
Boiling Point:
136-138℃
Refractive Index:
1.4453-1.4473
Flash Point:
47℃
Water:
29 ppm (23℃)
Solubilities:
SOLVENT SOLUBILI
Stability:
Stable, but heat and light sensitive. Reacts vigorously with oxidizing agents. Flammable. Incompatible with sodium dimethyl sulfonate, strong bases.
HS Code:
29036990
Storage temp:
Flammables area
Safety and Handling
Hazard Codes:
Xi:Irritant
Risk Statements:
R10;R36/37/38
Safety Statements:
S16;S24/25
HazardClass:
3
Hazard Note:
Flammable/Irritant
Safety:
Hazard Codes:?IrritantXi,?FlammableF,?DangerousN
Risk Statements: 10-36/37/38
R10: Flammable?
R36/37/38: Irritating to eyes, respiratory system and skin
Safety Statements: 26-36-24/25-16-36/37/39?
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice?
S36: Wear suitable protective clothing
S24/25: Avoid contact with skin and eyes?
S16: Keep away from sources of ignition?
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection
RIDADR: UN 2234 3/PG 3
WGK Germany: 2
RTECS: XS9145000
Hazard Note: Flammable/Irritant
HazardClass: 3
PackingGroup: III
HS Code: 29036990
?
PackingGroup:
III
Transport:
UN 2234
Specification:
?4-Chlorobenzotrifluoride (CAS NO.98-56-6)?is also called (p-Chlorophenyl)trifluoromethane ; 1-(Trifluoromethyl)-4-chlorobenzene ; 1-Chloro-4-(trifluoromethyl)benzene ; 4-Chloro-alpha,alpha,alpha-trifluorotoluene ; Benzene, 1-chloro-4-(trifluoromethyl)- ; Toluene, p-chloro-alpha,alpha,alpha-trifluoro- ; alpha,alpha,alpha-Trifluoro-4-chlorotoluene ; p-(Trifluoromethyl)chlorobenzene ; p-Chloro-alpha,alpha,alpha-trifluorotoluene ; p-Chlorobenzotrifluoride ; para-Chlorotrifluoromethylbenzene .?4-Chlorobenzotrifluoride (CAS NO.98-56-6) is highly flammable and insoluble in water.?4-Chlorobenzotrifluoride is sensitive to heat and light. 4-Chlorobenzotrifluoride reacts vigorously with oxidizing materials such as permanganates and dichromates. 4-Chlorobenzotrifluoride is incompatible with strong bases. 4-Chlorobenzotrifluoride is also incompatible with sodium dimethyl sulfonate.
Use and Manufacturing
Usage:
A benzene derivative; shows mutagenicity and toxicity activity
Environmental Fate and Exposure Potential
Environmental Fate/Exposure Summary:
TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 2,200(SRC), determined from an estimated log Kow of 3.6(2) and a regression-derived equation(3), indicates that 1-chloro-4-(trifluoromethyl)benzene is expected to have slight mobility in soil(SRC). Volatilization of 1-chloro-4-(trifluoromethyl)benzene from moist soil surfaces may be an important fate process(SRC) given an estimated Henry's Law constant of 3.5X10-2 atm-cu m/mole(SRC), using a fragment constant estimation method(4). The potential for volatilization of 1-chloro-4-(trifluoromethyl)benzene from dry soil surfaces may exist(SRC) based upon a vapor pressure of 7.63 mm Hg at 25 deg C(5). However, adsorption to soil is expected to attenuate volatilization(SRC). 64% degradation occurred over 59 days in an anaerobic screening test, suggesting biodegradation of 1-chloro-4-(trifluoromethyl)benzene may be important in soil under anaerobic conditions(6).
AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 2,200(SRC), determined from an estimated log Kow of 3.6(2) and a regression-derived equation(3), indicates that 1-chloro-4-(trifluoromethyl)benzene is expected to adsorb to suspended solids and sediment in the water column(SRC). 1-Chloro-4-(trifluoromethyl)benzene may volatilize from water surfaces(3) based upon an estimated Henry's Law constant of 3.5X10-2 atm-cu m/mole(SRC), developed using a fragment constant estimation method(4). Estimated volatilization half-lives for a model river and model lake(3) are 4.0 hours and 5.3 days, respectively(SRC). The volatilization half-life from a model pond 2 m deep is estimated to be about 2.0 days ignoring adsorption(5); when considering maximum adsorption the volatilization half-life increases to 12 days(5). According to a classification scheme(6), an estimated BCF of 320(3), from an estimated log Kow(2), suggests the potential for bioconcentration in aquatic organisms is high(SRC). In an anaerobic screening test using digester sludge, 64% of the originally applied 1-chloro-4-(trifluoromethyl)benzene was degraded in 59 days(7).
ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), 1-chloro-4-(trifluoromethyl)benzene, which has a vapor pressure of 7.63 mm Hg at 25 deg C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase 1-chloro-4-(trifluoromethyl)benzene is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be 67 days(SRC) from this compound's rate constant for the vapor-phase reaction with photochemically-produced hydroxyl radicals(3).
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