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1,2,4,5-Tetrachlorbenzol
1,2,4,5-tcb · 1.2.4.5-Tetrac · TETRACHLOROBENZOL · rcrawastenumberu207 · ethenyl trichloride · s-Tetrachlorobenzene · benzenetetrachloride · 1,2,4,5-Tetrachlorob
Identifikatoren & physikalische Daten
| CAS No. | 12408-10-5 |
|---|---|
| Summenformel | C6H2Cl4 |
| Durchschnittliche Molmasse | 215,9 g/mol |
| Monoisotopische Masse | 213,89106078 g/mol |
| SMILES | Clc1cc(Cl)c(Cl)cc1Cl |
| InChIKey | JHBKHLUZVFWLAG-UHFFFAOYSA-N |
| PubChem CID | 7270 |
| ChEMBL | CHEMBL45428 |
| ChEBI | CHEBI:36697 |
| EC No. | 202-466-2 |
| DTXSID | DTXSID7024320 |
| Lokaler Name | 1,2,4,5-Tetrachlorbenzol |
Chemische & physikalische Eigenschaften
| XLogP | 4,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 90,3 |
| Solvents | Solvents -> Chlorinated Aromatics |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| Pestizide | Pesticide -> EPA IRIS |
| LogP (Verteilungskoeffizient) | Log Kow= 4.604.9 |
| Geruch | STRONG, UNPLEASANT ODOR |
| Dichte | 1.858 at 70 °F (NTP, 1992) - Denser than waterwill sink1.833 kg/lHeat of fusion: 112.2 J/gheat capacity for liquid: 1.142 J/gcritical density: 0.475 kg/l1.83 g/cm³1.858 @ 22°C |
| Color/Form | COLORLESS SUBLIMABLE NEEDLES |
| Löslichkeit | less than 1 mg/mL at 70 °F (NTP, 1992)Slightly soluble in ethanolsoluble in ether and benzeneIn water, 0.595 mg/l at 25 °C.Solubility in water, mg/l at 25 °C: 2.160.0003g/linsoluble. <0.1 g/100 mL at 21 ºC |
| Flammpunkt | 311 °F (NTP, 1992)311 °F (155 °C) (closed cup)155 °C c.c.>230 °F |
| Siedepunkt | 464 to 475 °F at 760 mmHg (NTP, 1992)244.5 °C243-246 °C244.5 °C @760 [mm Hg]240-246 °C(lit.) |
| Decomposition | WHEN HEATED TO DECOMPOSITION IT EMITS HIGHLY TOXIC FUMES OF /HYDROGEN CHLORIDE/. |
| Schmelzpunkt | 280 to 284 °F (NTP, 1992)139.5 °C139-140 °C139 °C |
| Dampfdruck | 5 at 25 °C (extrapolated, Mackay et al., 1982) |
| Brechungsindex | 1.5348 (estimate) |
| Lagerbedingungen | 0-6°C |
| Aggregatzustand | Crystalline Solid |
| Farbe | Light pink to gray |
| BRN | 1618315 |
| Henry-Konstante | 0.10 at 20 °C (gas stripping-GC, Oliver, 1985) |
| Stabilität | Stable. Combustible. Incompatible with strong oxidizing agents. Reacts explosively with alkaline methanol solutions. |
| InChI | 1S/C6H2Cl4/c7-3-1-4(8)6(10)2-5(3)9/h1-2H |
| InChIKey | JHBKHLUZVFWLAG-UHFFFAOYSA-N |
| SMILES | Clc1cc(Cl)c(Cl)cc1Cl |
| CAS Datenbank | 95-94-3(CAS DataBase Reference) |
| NIST chemische Informationen | Benzene, 1,2,4,5-tetrachloro-(95-94-3) |
| EPA chemische Informationen | 1,2,4,5-Tetrachlorobenzene (95-94-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 1.1% (1 of 94) of reports.WarningH302 (98.9%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 94 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Danger |
|---|---|
| Regulatorische Informationen | Hazard Traits - BioaccumulationEnvironmental PersistenceS - indicates a substance that is identified in a final Significant New Use Rule.The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.) |
| DOT-Kennzeichnung | Class 9 |
| Brandgefahren | This chemical is combustible. (NTP, 1992)Combustible. Gives off irritating or toxic fumes (or gases) in a fire. Risk of fire and explosion on contact with oxidizing agents. |
| Brandpotenzial | Combustible when exposed to heat or flame. |
| Gesundheitsgefahren | SYMPTOMS: Symptoms of exposure to this compound may include irritation of the skin, eyes, mucous membranes and upper respiratory tract. |
| Gefahrenübersicht | If burned, toxic fumes include hydrogen chloride and phosgeneChronic feeding studies of animals show evidence of damage to liver, kidneys, lungs, and thyroid glandLD50 (oral, rat, male) = 3105 mg/kgAt lethal doses, animals have CNS depression, diarrhea, and coma[CHEMINFO] |
| Reaktive Gruppe | Aryl Halides |
| Special Reports | USEPAAmbient Water Quality Criteria Doc: Chlorinated Benzenes (1980) EPA 440/5-80-028Health Assessment Document: Chlorinated Benzenes (1985) EPA 600/8-84-01551 FR 24657-67 (1986) Chlorinated benzenesfinal test ruleDHHS/NTPNTP Report on the Toxicity Studies of 1,2,4,5-Tetrachlorobenzene in F344/N Rats and B6C3F1 Mice (Feed Studies) NTP TOX 7 (1991) NIH Pub No. 91-3126 |
| RCRA-Anforderungen | U207As stipulated in 40 CFR 261.33, when 1,2,4,5-tetrachlorobenzene, as a commercial chemical product or manufacturing chemical intermediate or an off-specification commercial chemical product or a manufacturing chemical intermediate, becomes a waste, it must be managed according to Federal and/or State hazardous waste regulations. Also defined as a hazardous waste is any residue, contaminated soil, water, or other debris resulting from the cleanup of a spill, into water or on dry land, of this waste. Generators of small quantities of this waste may qualify for partial exclusion from hazardous waste regulations (40 CFR 261.5). |
| TSCA-Anforderungen | Pursuant to section 8(d) of TSCA, EPA promulgated a model Health and Safety Data Reporting Rule. The section 8(d) model rule requires manufacturers, importers, and processors of listed chemical substances and mixtures to submit to EPA copies and lists of unpublished health and safety studies. 1,2,4,5-Tetrachlorobenzene is included on this list. |
| Reactivity Profile | 1,2,4,5-TETRACHLOROBENZENE is incompatible with strong oxidizing agents. Reacts violently with sodium hydroxide in methanol. Several explosions have occurred during alkaline hydrolysis. (NTP, 1992) |
| Chemical Dangers | Decomposes on burning. This produces toxic and corrosive fumes including hydrogen chloride. Reacts with strong oxidants. |
| Brandbekämpfung | Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. A water spray may also be used. (NTP, 1992)Use powder, carbon dioxide. |
| Erste-Hilfe-Maßnahmen | Fresh air, rest. Refer for medical attention.Remove contaminated clothes. Rinse skin with plenty of water or shower.First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.Rinse mouth. Refer for medical attention . |
| Erste Hilfe | 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. |
| Sichere Lagerung | Separated from strong oxidants. |
| Brandbekämpfungsverfahren | /USE/ CARBON DIOXIDE /&/ DRY CHEMICAL. |
| Reinigungsverfahren | Environmental considerations: Land spill: Dig a pit, pond, lagoon, holding area to contain liquid or solid material. /SRP: If time permits, pits, ponds, lagoons, soak holes, or holding areas should be sealed with an impermeable flexible membrane liner./ Dike surface flow using soil, sand bags, foamed polyurethane, or foamed concrete. Absorb bulk liquid with fly ash, cement powder, or commercial sorbents. Apply universal gelling agent to immobilize spill. Apply appropriate foam to diminish vapor and fire hazard. /Chlorobenzene/Environmental considerations: Water spill: Use natural deep water pockets, excavated lagoons, or sand bag barriers to trap material at bottom. If dissolved, in region of 10 ppm or greater concn, apply activated carbon at ten times the spilled amount. Remove trapped material with suction hoses. Use mechanical dredges or lifts to remove immobilized masses of pollutants and precipitates. /Chlorobenzene/Environmental considerations: Air spill: Apply water spray or mist to knock down vapors. Combustion products include corrosive or toxic vapors. /Chlorobenzene/ |
| Freisetung ohne Brand | 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. |
| Entsorgungsverfahren | Generators of waste (equal to or greater than 100 kg/mo) containing this contaminant, EPA hazardous waste number U207, must conform with USEPA regulations in storage, transportation, treatment and disposal of waste.A potential candidate for rotary kiln incineration at a temperature range of 820 to 1,600 °C and residence times of seconds for liquids and gases, and hours for solids. A potential candidate for fluidized bed incineration at a temperature range of 450 to 980 °C and residence times of seconds for liquids and gases, and longer for solids. A potential candidate for liquid injection incineration at a temperature range of 650 to 1,600 °C and a residence time of 0.1 to 2 seconds.The following wastewater treatment technologies have been investigated for 1,2,4,5-tetrachlorobenzene: Biological treatment. |
| Verschüttetes entsorgen | Personal protection: P2 filter respirator for harmful particles. Do NOT let this chemical enter the environment. Sweep spilled substance into covered containers. If appropriate, moisten first to prevent dusting. |
| Preventive Measures | If material /is/ not on fire and not involved in fire: Keep sparks, flames, and other sources of ignition away. Keep material out of water sources and sewers. Build dikes to contain flow as necessary. Attempt to stop leak if without undue personnel hazard. Use water spray to knock down vapors. /Chlorobenzene/Avoid breathing vapors. Keep upwind. /Chlorobenzene/SRP: Contaminated protective clothing should be segregated in such a manner so that there is no direct personal contact by personnel who handle, dispose, or clean the clothing. Quality assurance to ascertain the completeness of the cleaning procedures should be implemented before the decontaminated protective clothing is returned for reuse by the workers. Contaminated clothing should not be taken home at end of shift, but should remain at employee's place of work for cleaning. |
| Isolation and Evacuation | Excerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]: |
| Eye Prevention | Wear safety goggles. |
| Körperbelastung | Unidentified tetrachlorobenzene isomer(s) were found in human blood samples taken from a resident in the area of the Love Canal at a concentration of 2.6 ng/ml(1). Concentrations of 0.008 to 0.039 ug/g 1,2,4,5-tetrachlorobenzene were detected in human adipose tissue in Japan(2). Mean concentrations of 0.016 ug/g were detected in Yugoslavian human adipose tissue and 2 ug/kg in human milk, respectively(3).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(1). 1,2,4,5-Tetrachlorobenzene was identified, not quantified, in the adipose tissue of non-occupationally exposed individuals in Germany(2). |
| Zielorgane | Urinary |
| Ökotoxizitätswerte | LC50 Bluegill (sunfish) 5.69 mg/l/24 hr4.35 mg/l/48 hr1.55 mg/l/96 hr /Conditions of bioassay not specified/LC50 Sheepshead minnow > 1.80 mg/l/24 hr0.90 mg/l/48 hr /Conditions of bioassay not specified/LC50 Guppy (Poecilia reticulata) 0.30 ppm/14 days /Conditions of bioassay not specified/ |
| Umweltverhalten | TERRESTRIAL FATE: Based on a recommended classification scheme(1), and log Koc values in the range of 3.2-3.9(2-4), 1,2,4,5-tetrachlorobenzene is expected to have low mobility in soil(SRC). Volatilization of 1,2,4,5-tetrachlorobenzene is expected from moist soil surfaces(SRC) given its Henry's Law constant of 1.0X10-3 atm-cu m/mole at 20 °C(5), but adsorption may attenuate this process(SRC). Volatilization of 1,2,4,5-tetrachlorobenzene from dry soil surfaces is not expected(SRC) based on a vapor pressure of 0.005 mm Hg at 25 °C(5). Biodegradation is expected to occur slowly based on a half-life of 47 days in a sewage sludge ammended soil(6).AQUATIC FATE: Based on a recommended classification scheme(1), and log Koc values in the range of 3.2-3.9(2-4), 1,2,4,5-tetrachlorobenzene is expected to adsorb to suspended solids and sediments in water(SRC). 1,2,4,5-Tetrachlorobenzene is expected to volatilize from water surfaces(5,SRC) given its Henry's Law constant of 1.0X10-3 atm-cu m/mole at 20 °C(6), 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(5,SRC). The volatilization half-life in a model pond is approximately 34 days when adsorption is considered(7). According to a classification scheme(8), BCF values in the range of 1,600 to 4,800, measured in carp(9) and log BCF values of 3.7-4.1 measured in trout(10), suggest that bioconcentration in aquatic organisms is high(SRC). Biodegradation is expected to occur slowly based on a half-life of 29 days measured in anaerobic river sediment(11). When irradiated with light greater than 285 nm, this compound was degraded 61 percent in a water solution in 16 hrs(12), 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), 1,2,4,5-tetrachlorobenzene, which has a vapor pressure of 0.005 mm Hg at 25 °C(2), is expected to exist in the vapor phase in the ambient atmosphere. Vapor-phase 1,2,4,5-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). |
| Lebensmitteluntersuchungswerte | 1,2,4,5-Tetrachlorobenzene was detected in potatoes (0.486 and 2.19 mg/kg) and lettuce (0.012 mg/kg)(1). Combined 1,2,3,5- and 1,2,4,5-tetrachlorobenzene were detected in the following oils: corn (0.04 mg/kg), rape (0.005 mg/kg), sunflower (0.001 mg/kg), peanut (0.001 mg/kg), sesame (0.005 mg/kg) walnut (0.005 mg/kg), hazelnut (0.01 mg/kg) and poppy (0.005 mg/kg)(2). 1,2,4,5-Tetrachlorobenzene was detected in meat from Yugoslavia at a concn of 1.8 ng/g(3). |
| Unerwünschte Wirkungen | Neurotoxin - Acute solvent syndrome |
| Expositionspfade | The substance can be absorbed into the body by inhalation of its aerosol and by ingestion. |
| Milk Concentrations | 1,2,4,5-Tetrachlorobenzene was detected in human milk at a concn of 2 ug/kg(1). |
| Average Daily Intake | The World Health Organization (WHO) estimates the AVDI of all tetrachlorobenzene isomers for humans is less than 0.1 ng/kg body weight(1). |
| Plant Concentrations | Combined isomers of tri- and tetrachlorobenzene were detected in pine needles at concns of 3-30 ng/g and grass at 15 ng/g(1). |
| Animal Concentrations | Combined 1,2,3,5- and 1,2,4,5-tetrachlorobenzene isomers were reported in herring gull eggs from the Detroit River at mean concns of 0.01-0.45 ppm(1). Combined 1,2,3,5- and 1,2,4,5-tetrachlorobenzene isomers were reported in herring gull eggs near Lake Huron at median concns of 0.5-201 ng/g(2) and near Lake Superior at concns of 0.004-0.01 ug/g(3). Combined 1,2,3,5- and 1,2,4,5-tetrachlorobenzene isomers were detected in eggs of terns (0.002 and 0.005 mg/kg), double-crested cormorant (0.003 mg/kg) and black-crowned night herons (0.005 and 0.002 mg/kg)(4). |
| Signs and Symptoms | Cough. |
| CERCLA-Meldepflichtmengen | Persons in charge of vessels or facilities are required to notify the National Response Center (NRC) immediately, when there is a release of this designated hazardous substance, in an amount equal to or greater than its reportable quantity of 5000 lb or 2270 kg. The toll free number of the NRC is (800) 424-8802In the Washington D.C. metropolitan area (202) 426-2675. The rule for determining when notification is required is stated in 40 CFR 302.4 (section IV. D.3.b). |
| Clean Water Act Anforderungen | Toxic pollutant designated pursuant to section 307(a)(1) of the Clean Water Act and is subject to effluent limitations. /Chlorinated benzenes/ |
| Landesrichtlinien für Trinkwasser | (AZ) ARIZONA 2 ug/l(FL) FLORIDA 4 ug/l |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3077 9/PG 3 |
| Zollcode | 29036990 |
| RTECS-Nr. | DB9450000 |
| R-Sätze (R) | 22-36/37/38-23/24/25-11-36-20/21/22-51/53 |
| Toxizität | Acute oral LD50 for rats 1,500 mg/kg, mice 1,035 mg/kg (quoted, RTECS, 1985). |
| Gefahrensymbole | Xn,T,F,N |
| Sicherheitshinweise (S) | 26-36-45-27-16-36/37-61 |
| Gefahrenklasse | 9Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrstoffdaten | 95-94-3(Hazardous Substances Data) |
Anwendungen & Verwendung
Verwenden
1,2,4,5-Tetrachlorobenzene was used to study the environmental behavior of hexachlorobutadiene (HCBD).