4-Chlorobenzophenone

216.664

216.66

205-160-7

WIH1IZ728U

2872

DTXSID2051687

Needles from alcohol|White to off-white, crystalline powder

29147000

17.1

3.79 (est)

white to off-white crystalline powder

1.1459 (rough estimate)

78 °C

332 °C @ Press: 771 Torr

143°C

1.5260 (estimate)

In water, 17 mg/L at 25 deg C (est)

Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

1.1X10-4 mm Hg at 25 deg C (est)

Henry's Law constant = 1.4X10-6 atm-cu m/mol at 25 °C (est)

UV: 6-449 (Organic Electronic Spectral Data, Phillips et al, John Wiley & Sons, New York) /Benzophenone, 3-chloro/|Hydroxyl radical reaction rate constant = 3.0X10-12 cu cm/molecule-sec at 25 °C (est)

UN 3261 8/PG 2

2

R34

26-36/37/39-45-24/25-2637/39-22-36

AM5978800

C,Xi,Xn

Stable under normal temperatures and pressures.

P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P391, P403+P233, P405, P501

H315

SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in soil or water; effects on animal, aquatic, and plant life; and conformance with environmental and public health regulations.

Not Classified

4-Chlorobenzophenone's production and use as a chemical intermediate(1) may result in its release to the environment through various waste streams(SRC).

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 1,700(SRC), determined from a structure estimation method(2), indicates that 4-chlorobenzophenone is expected to have low mobility in soil(SRC). Volatilization of 4-chlorobenzophenone from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 1.4X10-6 atm-cu m/mole(SRC), using a fragment constant estimation method(3). However, adsorption to soil is expected to attenuate volatilization(SRC). 4-Chlorobenzophenone is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 1.1X10-4 mm Hg(SRC), determined from a fragment constant method(4). Biodegradation of 4-chlorobenzophenone in soil is expected to be slow based on 0% degradation of the structurally similar substance benzophenone after 28 days in a screening test using an activated sludge inoculum(5).|AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 1,700(SRC), determined from a structure estimation method(2), indicates that 4-chlorobenzophenone is expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is expected(3) based upon an estimated Henry's Law constant of 1.4X10-6 atm-cu m/mole(SRC), developed using a fragment constant estimation method(4). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 25 days and 278 days, respectively(SRC). According to a classification scheme(5), an estimated BCF of 24(SRC), from an estimated log Kow of 3.79(6) and a regression-derived equation(7), suggests the potential for bioconcentration in aquatic organisms is low(SRC). 4-Chlorobenzophenone absorbs light at 260 nm (UV max)(8) indicating that this substance may undergo direct photolysis in the environment(3). Biodegradation of 4-chlorobenzophenone in water is expected to be slow based on 0% degradation of the structurally similar substance benzophenone after 28 days in a screening test using an activated sludge inoculum(9).|ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), 4-chlorobenzophenone, which has an estimated vapor pressure of 1.1X10-4 mm Hg at 25 °C(SRC), determined from a fragment constant method(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase 4-chlorobenzophenone 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 5.3 days(SRC), calculated from its rate constant of 1.4X10-6 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). 4-Chlorobenzophenone absorbs light at 260 nm (UV max)(4) indicating that this substance may undergo direct photolysis in the environment(5).

The rate constant for the vapor-phase reaction of 4-chlorobenzophenone with photochemically-produced hydroxyl radicals has been estimated as 3.0X10-12 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1). This corresponds to an atmospheric half-life of about 5.3 days at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1). 4-Chlorobenzophenone is not expected to undergo hydrolysis in the environment due to the lack of functional groups that hydrolyze under environmental conditions(2). 4-Chlorobenzophenone absorbs light at 260 nm (UV max)(3) indicating that this substance may undergo direct photolysis in the environment(2).

An estimated BCF of 24 was calculated in fish for 4-chlorobenzophenone(SRC), using an estimated log Kow of 3.79(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is low(SRC).

Using a structure estimation method based on molecular connectivity indices(1), the Koc of 4-chlorobenzophenone can be estimated to be 1,700(SRC). According to a classification scheme(2), this estimated Koc value suggests that 4-chlorobenzophenone is expected to have low mobility in soil.

The Henry's Law constant for 4-chlorobenzophenone is estimated as 1.4X10-6 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that 4-chlorobenzophenone is expected to volatilize 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 25 days(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 280 days(SRC). 4-Chlorobenzophenone's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). However, adsorption to soil is expected to attenuate volatilization(SRC). 4-Chlorobenzophenone is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 1.1X10-4 mm Hg(SRC), determined from a fragment constant method(3).

Occupational exposure to 4-chlorobenzophenone may occur through inhalation or dermal contact with this compound at workplaces where 4-chlorobenzophenone is produced or used. (SRC)

4-Chlorobenzophenone was detected, not quantified, in one sample of human adipose tissue collected in fiscal year 1982 during the Environmental Protection Agency's National Human Adipose Tissue Survey (NHATS)(1,2).

4-Chlorobenzophenone is a known transformation product of 1-[(4-Chlorophenyl)phenylmethyl]piperazine, Cetirizine, Cetirizine N-oxide, Chlorcyclizine, and Meclozine.

The metabolism of clemastine, 2-(2-(1-(4-chlorophenyl)-1-phenylethoxylethyl])-1-methylpyrrolidine, has been studied in three adult male volunteers after a single oral dose of 20 mg as the fumarate. After enzymatic hydrolysis solvent extracts of urine were derivatized with N-methyl-N-trimethylsilyltrifluoroacetamide-ammonium iodide and analysed by gas chromatography-mass spectrometry. The structures of metabolites were determined on the basis of electron impact and chemical ionization mass spectra and the identities of some (e.g. carbinol, 4-chlorobenzophenone and 4-chlorophenylstyrene) were confirmed by use of authentic standards. The principal route of metabolism of clemastine in man involves direct oxidation, O-dealkylation (fission of the ether bond), aromatic hydroxylation, aliphatic oxidation, alcoholic dehydration, and then enzymatic hydrolysis. Of the total amount of metabolites excreted in the urine 35% was carbinol (metabolite M3, major metabolite), 15% was M1, 17% was M2, 11% was M4, 9% was M5, 8% was M6 and 5% was M7.

Methanone, (4-chlorophenyl)phenyl-: ACTIVE

Analyte: 4-chlorobenzophenone; matrix: pharmaceutical preparation (injection solution); procedure: high-performance liquid chromatography with ultraviolet detection at 257 nm

Pharmaceuticals -> Antihistamines -> Transformation products