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Home > Encyclopedia > 1,2,3,4-Tetrachlorobenzene

1,2,3,4-Tetrachlorobenzene

1,2,3,4-Tetrachlorobenzene structure

1,2,3,4-Tetrachlorobenzene 

structure

Description

WHITE CRYSTALLINE SOLID


1,2,3,4-tetrachlorobenzene appears as white to off-white crystals. (NTP, 1992)


1,2,3,4-tetrachlorobenzene appears as white to off-white crystals. (NTP, 1992)|1,2,3,4-tetrachlorobenzene is a tetrachlorobenzene carrying chloro groups at positions 1, 2 , 3 and 4.

1,2,3,4-Tetrachlorobenzene Basic Attributes

215.89

215.89

211-214-0

MH0UY3V1KE

50729

DTXSID6026088

Colorless needles

29039990

Characteristics

0

4.64

1,2,3,4-tetrachlorobenzene appears as white to off-white crystals. (NTP, 1992)

170 g/cm3

47.5 °C

254 °C @ Press: 760 Torr

>230 °F

1.582

Soluble in acetic acid, ether, ligroin (Weast, 1986), and very soluble in many chlorinated solvents including chloroform, carbon tetrachloride, etc.

APPROX 4°C

1.5 (extrapolated from vapor pressures determined at higher temperatures, Tesconi andYalkowsky, 1998)

Oral-rat LD50: 1167 mg/kg

Open flame is flammable; burning releases toxic chloride fumes

7.60e-04 atm-m3/mole|Henry's Law constant= 6.9X10-4 atm-cu m/mol at 25 °C

Insoluble in water.

Aryl Halides

Simple aromatic halogenated organic compounds, such as 1,2,3,4-TETRACHLOROBENZENE, are very unreactive. Halogenated organics generally become less reactive as more of their hydrogen atoms are replaced with halogen atoms. Materials in this group may be incompatible with strong oxidizing and reducing agents. Also, they may be incompatible with many amines, nitrides, azo/diazo compounds, alkali metals, and epoxides.

268.9 J/g

Critical Temperature: 450 °C; Critical Pressure: 3380 kPa

Safety Information

3077

3

22-39/23/24/25-23/24/25-11

22-24/25-45-16-7-36/37

DB9440000

Xn,T,F

Treasury is ventilated at low temperature and dry; stored separately from oxidants and food additives

P273-P501

H302-H410

SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.|... Halogenated compounds may be disposed of by incineration provided they are blended with other compatible wastes or fuels so that the composite contains less than 30% halogens and the heating value is from 7000 to 9000 BTU/lb. Liquid injection, rotary kiln, and fluidized bed incinerators are typically used to destroy liquid halogenated wastes. ... Temperatures of at lease 2000-2200 °F and residence times /of more than 2 sec/ ... are required for the destruction of halogenated aromatic hydrocarbons. /Halogenated Aromatic Hydrocarbons/

IN MFR OF SODIUM SALT OF TRICHLOROPHENOL, SODIUM HYDROXIDE, METHYL ALCOHOL & TETRACHLOROBENZENE WERE HEATED. DURING HEATING PROCESS, PRESSURE SUDDENLY INCR RAPIDLY & EXPLOSION OCCURRED. /TETRACHLOROBENZENE/

USEPA; Ambient Water Quality Criteria Doc: Chlorinated Benzenes (1980) EPA 440/5-80-028|USEPA; Health Assessment Document: Chlorinated Benzenes (1985) EPA-600/8-84-015

UN 3077

This chemical is probably combustible. (NTP, 1992)

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P273, P301+P312, P330, P391, and P501|Aggregated GHS information provided by 44 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|Danger|H302: Harmful if swallowed [Warning Acute toxicity, oral]|P201, P202, P260, P261, P264, P270, P271, P281, P301+P312, P304+P340, P308+P313, P309+P311, P312, P314, P330, P403+P233, P405, and P501

Fires involving this material should be controlled using a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)

SMALL SPILLS AND LEAKAGE: If a spill of this chemical occurs, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with acetone and transfer the dampened material to a suitable container. Use absorbent paper dampened with acetone to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with acetone followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned. STORAGE PRECAUTIONS: You should store this chemical under refrigerated temperatures, and keep it away from oxidizing materials. STORE AWAY FROM SOURCES OF IGNITION. (NTP, 1992)

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

1,2,3,4-Tetrachlorobenzene was detected at mean concns of less than 0.01 mg/cu m in the air of municipal landfills in Finland(1). Combined tetrachlorobenzene isomers were detected at concns of 38-1,800,000 ng/cu m in the effluent of a waste gasification and combustion pilot plant(2) and detected at concns of 74.7 and 48 ng/cu m in the effluent of a hazardous waste incinerator in Biebesheim, Germany(3). 1,2,3,4-Tetrachlorobenzene was identified, not quantified, in the effluent from a coal-fired power plant(4). Combined tetrachlorobenzene isomers were detected at concns of 0.01-0.11 ug/l in the effluent of 2 Dow Chemical plants near the St. Claire River, Canada(5). Trace levels of 1,2,3,4-tetrachlorobenzene were detected in the air after a fire at a municipal waste landfill(6). 1,2,3,4-Tetrachlorobenzene was identified, not quantified, in pulp mill effluents in Canada(7). Combined tetrachlorobenzene isomers were detected at concns of 29 and 57 ug/cu m in the effluent of municipal refuse incinerators located in Virginia and Ohio, respectively(8).

1,2,3,4-Tetrachlorobenzene was detected in the sediment of Lake Ketelmeer, Netherlands at concns of 20 and 5 ng/kg(1). Mean 1,2,3,4-tetrachlorobenzene concns of 0.1, 1, 0.7 and 32 ppb were detected in the surficial sediments from Lakes Superior, Huron, Erie, and Ontario, respectively(2). 1,2,3,4-Tetrachlorobenzene was detected at concns of 0-0.2 ng/g in sediment from Ise Bay, Japan(3). 1,2,3,4-Tetrachlorobenzene was detected at median concns of 11, 10 and 5 ng/g in sediment taken from the Scheldt estuary, Netherlands(4). Soil samples from Niagara Falls, NY contained 1,2,3,4-tetrachlorobenzene at mean concns of 940 and 1,340 pg/g(5). Sediment from the St. Lawrence River contained 1,2,3,4-tetrachlorobenzene at concns of 0.27-1.4 ng/g(6) and sediment from Port Lamberton, Canada contained 2.17 ng/g(7). Soil from Hengelo, Netherlands contained 1,2,3,4-tetrachlorobenzene at a mean concn of 2.08 mg/kg(8). 1,2,3,4-Tetrachlorobenzene was detected in sediment (32 ng/g) and suspended particulate matter (15 ng/g) in Lake Ontario(9).

URBAN/SUBURBAN: 1,2,3,4-Tetrachlorobenzene was detected in the air of Hamburg, Germany at concns of 0.3-28.4 ng/cu m(1). Combined tetrachlorobenzene isomers were detected at mean concns of 690 parts per trillion in the urban air of the US and 95 parts per trillion in source dominated air(2). 1,2,3,4-Tetrachlorobenzene was detected in suburban air in MI at concns of 40-53 pg/cu m(3) and in southern Ontario, Canada at a max concn of 46 pg/cu m(4).

Toxicity

moderately toxic

Since TeCB's can increase cytochrome p450 levels, ... they appear to induce metabolic enzymes. /This/ induction of microsomal enzyme activity has been shown to enhance the metabolism of a wide variety of drugs, pesticides and other xenobiotics. Exposure to TeCB could therefore result in decreased pharmacologic and/or toxicologic activity of numerous compounds. /In the event/ that chemical agents are metabolized to more active or toxic reactive intermediates ... exposure to TeCB would result in enhanced activity and/or toxicity of these agents. /Tetrachlorobenzenes/

/Individuals who suffer from/ skin, liver, kidney, or chronic respiratory disease, will be at an increased risk if they are exposed to chlorobenzenes. /Chlorobenzenes/

1,2,3,4-Tetrachlorobenzene is a degradation byproduct of pentachlorobenzene and hexachlorobenzene and therefore may enter the environment as a result of the microbial degradation of these compounds(1,SRC).|1,2,3,4-Tetrachlorobenzene's production and use as an organic intermediate and a dielectric fluid may result in its release to the environment through various waste streams(1,SRC).

TERRESTRIAL FATE: Based on a recommended classification scheme(1), and log Koc values in the range of 3.5-4.8(2) measured in soil, 1,2,3,4-tetrachlorobenzene is expected to have low mobility in soil(SRC). Volatilization of 1,2,3,4-tetrachlorobenzene is expected from moist soil surfaces given its Henry's Law constant of 6.9X10-4 atm-cu m/mole at 25 °C(3), but adsorption may attenuate this process(SRC). Volatilization of 1,2,3,4-tetrachlorobenzene from dry soil surfaces is not expected based on a vapor pressure of 0.04 mm Hg at 25 °C(3). Biodegradation is expected to occur slowly based on a half-life of 1,2,3,4-tetrachlorobenzene in sewage sludge amended soil of 34.5 days(4).|AQUATIC FATE: Based on a recommended classification scheme(1), and log Koc values in the range of 3.5-4.7(2,3) measured in sediment, 1,2,3,4-tetrachlorobenzene is expected to adsorb to suspended solids and sediment in water(SRC). 1,2,3,4-Tetrachlorobenzene is expected to volatilize from water surfaces(4,SRC) given its Henry's Law constant of 6.9X10-4 atm-cu m/mole at 25 °C(5), but adsorption may attenuate this process(SRC). Estimated volatilization half-lives for a model river and model lake are 6 and 150 hours, respectively when neglecting adsorption(4,SRC). The volatilization half-life from a model pond is about 128 days when adsorption is considered(6). According to a classification scheme(7), BCF values in the range of 490 to 1,700, measured in carp(8) and log BCF values of 3.7-4.1 measured in trout(9), suggest that bioconcentration in aquatic organisms is high. Biodegradation is expected to occur slowly based on a half-life of 18 days measured in anaerobic river sediment(10). When irradiated with light greater than 285 nm, this compound was degraded 46 percent in 40 hrs in a water solution(11), suggesting that photolysis in surface waters may be important(SRC).|ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), 1,2,3,4-tetrachlorobenzene, which has a vapor pressure of 0.04 mm Hg at 25 °C(2), is expected to exist in the vapor phase in the ambient atmosphere. Vapor-phase 1,2,3,4-tetrachlorobenzene 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 200 days(SRC) from its estimated rate constant of 8.2X10-14 cu cm/mole-sec(3).

The rate constant for the vapor-phase reaction of 1,2,3,4-tetrachlorobenzene with photochemically-produced hydroxyl radicals has been estimated as 8.2X10-14 cu cm/molecule-sec at 25 °C(1). This corresponds to an atmospheric half-life of about 200 days at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1,SRC). 1,2,3,4-Tetrachlorobenzene is not expected to undergo hydrolysis in the environment due to the lack of hydrolyzable functional groups(SRC). 1,2,3,4-Tetrachlorobenzene in a water solution irradiated at wavelengths greater than 285 nm was 46 percent degraded in 40 hours(2).

2.40e+03|BCF values of 520 to 1,560 were measured in carp exposed to 10 ug/l of 1,2,3,4-tetrachlorobenzene during a 6 week incubation period and BCF values of 490 to 1,700 were measured in carp exposed to 1 ug/l of 1,2,3,4-tetrachlorobenzene during a 6 week incubation period(1). Mean log BCF values of 3.7-4.1 were measured for rainbow trout exposed to 1,2,3,4-tetrachlorobenzene(2). A mean log BCF value of 3.5 was measured in fathead minnows exposed to 1,2,3,4-tetrachlorobenzene for 2-120 hours(3). A mean BCF value of 5,200 was reported for rainbow trout exposed to low levels of 1,2,3,4-tetrachlorobenzene for 119 days and a mean BCF value of 12,000 was reported for rainbow trout exposed to high concns of 1,2,3,4-tetrachlorobenzene for 119 days(4). According to a classification scheme(5), these BCF values suggest that bioconcentration in aquatic organisms is high.

6.92e+03 L/kg|A log Koc value of 3.8(1) was reported for 1,2,3,4-tetrachlorobenzene in soils and log Koc values of 3.5 to 3.8 were reported in sandy and clay loams(2). A log Koc value of 4.4 was reported for 1,2,3,4-tetrachlorobenzene in sediment obtained from Ise Bay, Japan(3) and a log Koc value of 4.7 was reported from sediment of Lake Oostvaardersplassen, Netherlands(4). According to a recommended classification scheme(5), these Koc values suggest that 1,2,3,4-tetrachlorobenzene has low mobility in soil.

The Henry's Law constant for 1,2,3,4-tetrachlorobenzene is 6.9X10-4 atm-cu m/mole at 25 °C(1). This value indicates that 1,2,3,4-tetrachlorobenzene will volatilize from water(2,SRC), but adsorption may attenuate this process(SRC). 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) is estimated as approximately 6 hours(2,SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec) is estimated as approximately 150 hours(2,SRC). The volatilization half-life from a model pond is about 128 days when adsorption is considered(3). 1,2,3,4-Tetrachlorobenzene's Henry's Law constant(1) indicates that volatilization from moist soil surfaces is expected(SRC). 1,2,3,4-Tetrachlorobenzene is not expected to volatilize from dry soil surfaces(SRC) based on a vapor pressure of 0.04 mm Hg at 25 °C(1).

DRINKING WATER: 1,2,3,4-tetrachlorobenzene was detected at a mean concn of 0.3 parts per trillion in drinking water from 3 Canadian cities near Lake Ontario(1). Combined isomers of tetrachlorobenzene were detected at concns of 120-2,000 ng/l in the drinking water of homes near Love Canal, NY(2).|SURFACE WATER: 1,2,3,4-Tetrachlorobenzene was detected at mean concns of 0.1 and 0.5 parts per trillion in Lake Ontario and Lake Huron, respectively(1). 1,2,3,4-Tetrachlorobenzene was detected at concns of 1.4-36 ng/l in the Niagara River(2). Water collected in the vicinity of an industrial outfall in the Calacasieu River, LA contained 1,2,3,4-tetrachlorobenzene at a concn of 9 ng/l(3). 1,2,3,4-Tetrachlorobenzene was detected at mean concns of 0.02 ng/l (Edwards Point) and 0.06 ng/l (Port Lambton) in Ontario, Canada(4) and at 0.02 ug/l in the Forth Estuary, England(5). 1,2,3,4-Tetrachlorobenzene was detected at concns of 0.14, 0.076 and 0.067 ng/l in Lake Ontario(6). 1,2,3,4-Tetrachlorobenzene was detected at a max concn of 135 ng per cubic decameter in the Scheldt estuary, Netherlands(7). 1,2,3,4-Tetrachlorobenzene was detected at an avg concn of 140 pg/l in Lake Ontario(8). 1,2,3,4-Tetrachlorobenzene was detected in the Elbe River, Germany at concns of 0.24-2.5 ng/l(9).

1,2,3,4-Tetrachlorobenzene was detected in carrots (0.0218 ug/kg (peel)), potatoes (0.0736 ug/kg (peel)), tomatoes (0.01 ug/kg (peel)), and lettuce (0.0041 ug/kg (outer)) sampled in the UK(1). 1,2,3,4-Tetrachlorobenzene was detected in corn oil and sunflower oil samples from Yugoslavia at concns of 0.005 and 0.002 ug/kg, respectively(2).

1,2,3,4-Tetrachlorobenzene was detected in human milk in Canada at 0.01 ng/g (whole milk) and 0.49 ng/g(milk fat)(1).

Occupational exposure to 1,2,3,4-tetrachlorobenzene may be through inhalation and dermal contact in workplaces where this compound is produced or used. The general population may be exposed to 1,2,3,4-tetrachlorobenzene via inhalation of ambient air, ingestion of food and drinking water. (SRC)

1,2,3,4-Tetrachlorobenzene has been detected in 19 of 108 samples of human adipose tissue at a mean concn of 67 ng/g(1). Combined trichlorobenzene and tetrachlorobenzene isomers were detected in human adipose tissue in Slovenia at a concn of 60 ng/g and in human hair samples at 40 ng/g(2). 1,2,3,4-Tetrachlorobenzene was identified, not quantified, in the adipose tissue of non-occupationally exposed individuals in Germany(3).

Drug Information

Three tetrachlorobenzene (TCB) congeners (1,2,3,4- 1,2,3,5- and 1,2,4,5-tetrachlorobenzene) were administered daily by gavage to pregnant Sprague-Dawley rats at levels of 50, 100, or 200 mg/kg from day 6-15 of gestation. Residues of all three congeners were found in maternal and fetal tissues but generally the amounts of the 1,2,4,5- isomer were about 100 times higher than the other two.

1,2,3,4-TETRACHLOROBENZENE WAS IDENTIFIED AS A PENTACHLOROBENZENE METABOLITE.|3 STRAINS OF HOUSEFLIES WERE USED TO DETECT CORRELATIONS BETWEEN PESTICIDE RESISTANCE & METAB. 1,2,3,4-TETRACHLORO-BENZENE WAS FORMED AS METABOLITE OF LINDANE IN SUSCEPTIBLE & RESISTANT HOUSEFLIES.|ORAL ADMIN OF 100 MG HEXACHLOROBENZENE/KG 9 TIMES WITHIN 4 WK INCR WT OF LIVER BY 85% IN MALE & BY 30% IN FEMALE RATS. URINE OF RATS ADMIN TWICE A WK 100 MG HEXACHLOROBENZENE CONTAINED 1,2,3,4-TETRACHLOROBENZENE.|YIELDS 2,3,4,6-TETRACHLOROPHENOL IN RABBIT. /FROM TABLE/|For more Metabolism/Metabolites (Complete) data for 1,2,3,4-TETRACHLOROBENZENE (8 total), please visit the HSDB record page.

4.90 Days

ACUTE/CHRONIC HAZARDS: This compound may cause irritation of the skin. (NTP, 1992)

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. If symptoms such as redness or irritation develop, IMMEDIATELY call a physician and be prepared to transport the victim to a hospital for treatment. INHALATION: IMMEDIATELY leave the contaminated area; take deep breaths of fresh air. If symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop, call a physician and be prepared to transport the victim to a hospital. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be used; if not available, use a level of protection greater than or equal to that advised under Protective Clothing. INGESTION: DO NOT INDUCE VOMITING. If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center. Be prepared to transport the victim to a hospital if advised by a physician. If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body. DO NOT INDUCE VOMITING. IMMEDIATELY transport the victim to a hospital. (NTP, 1992)

1,2,3,4-tetrachlorobenzene

1,2,3,4-Tetrachlorobenzene Use and Manufacturing

Methods of Manufacturing

PRODUCED AS BY-PRODUCT IN MFR OF 1,2,4,5-TETRACHLOROBENZENE BY CHLORINATION OF 1,2,4-TRICHLOROBENZENE OVER ALUMINUM AMALGAM; CHLORINATION OF 1,2,3-TRICHLOROBENZENE IN PRESENCE OF CATALYST

Uses

Used in organic synthesis, as a solidification inhibitor for insulating fluids and transformer oils. Standard solutions are used for ICP-AES, AAS, AFS, ICP-MS, ion chromatography, etc. Standard solution for titration analysis. Calibration instruments and devices; evaluation methods; working standards; quality assurance/quality control; others.

Production

(1979) 3.6X10+9-EST-NOT COMMERCIALLY ISOLATED

Benzene, 1,2,3,4-tetrachloro-: ACTIVE

DETERMINATION OF CHLOROBENZENES (INDUSTRIAL PRODUCTS) MONOCHLOROBENZENE THROUGH HEXACHLOROBENZENE @ PPB LEVELS IN AIR BY GAS CHROMATOGRAPHY WITH PHOTOIONIZATION DETECTION.|EPA Method 1625. Semivolatile Organic Compounds by Isotope Dilution GCMS.|OSW Method 8121. Determination of Chlorinated Hydrocarbons by Gas Chromatography: Capillary Column Technique.

DETERMINATION OF CHLOROBENZENES (INDUSTRIAL PRODUCTS) MONOCHLOROBENZENE THROUGH HEXACHLOROBENZENE @ PPB LEVELS IN HUMAN URINE & BLOOD SAMPLES BY GAS CHROMATOGRAPHY WITH PHOTOIONIZATION DETECTION.

Analysis Methods

Name Column Shape Active Phase(℃) Retention index Temperature Control Method Comments Reference
Kovats' RI, non-polar column, isothermal Capillary SE-30 1388.0 160. isothermal   Santiuste, J.M.Harangi, J.Takács, J.M.Mosaic increments for predicting the gas chromatographic retention data of the chlorobenzenesJ. Chromatogr. A2003, 1002, 1-2, 155-168.
Kovats' RI, non-polar column, isothermal Capillary HP-5 1385.4 120. isothermal   Santiuste, J.M.Harangi, J.Takács, J.M.Mosaic increments for predicting the gas chromatographic retention data of the chlorobenzenesJ. Chromatogr. A2003, 1002, 1-2, 155-168.
Kovats' RI, non-polar column, isothermal Capillary HP-5 1385.3 120. isothermal 60. m/0.25 mm/0.25 μm, N2 Santiuste J.M.Takacs J.M.Relationships between retention data of benzene and chlorobenzenes with their physico-chemical properties and topological indicesChromatographia2003, 58, 87-96.
Kovats' RI, non-polar column, isothermal Capillary HP-5 1402.3 140. isothermal 60. m/0.25 mm/0.25 μm, N2 Santiuste J.M.Takacs J.M.Relationships between retention data of benzene and chlorobenzenes with their physico-chemical properties and topological indicesChromatographia2003, 58, 87-96.
Kovats' RI, non-polar column, isothermal Capillary SPB-1 1370. 140. isothermal 30. m/0.32 mm/0.25 μm Vezzani, S.Bertocchi, A.Moretti, P.Castello, G.Prediction of the gas chromatographic retention values of chlorobenzenes on different station phases by using structure-retention correlationsJ. Chromatogr. A1998, 803, 1-2, 211-218.

Computed Properties

Molecular Weight:215.9
XLogP3:4.6
Exact Mass:215.888111
Monoisotopic Mass:213.891061
Heavy Atom Count:10
Complexity:102
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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