HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Pentachlorethan
CHCl2CCl3 · Pentachlorethane · R-120 · freon120 · PENTALIN · Pentaline · NCI-C53894 · Pentaclorethane
Identifikatoren & physikalische Daten
| CAS No. | 76-01-7 |
|---|---|
| Summenformel | C2HCl5 |
| Durchschnittliche Molmasse | 202,3 g/mol |
| Monoisotopische Masse | 199,85208843 g/mol |
| SMILES | ClC(Cl)C(Cl)(Cl)Cl |
| InChIKey | BNIXVQGCZULYKV-UHFFFAOYSA-N |
| PubChem CID | 6419 |
| ChEMBL | CHEMBL350040 |
| ChEBI | CHEBI:76287 |
| EC No. | 200-925-1 |
| DTXSID | DTXSID7021104 |
| Lokaler Name | Pentachlorethan |
Chemische & physikalische Eigenschaften
| XLogP | 3,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 51,6 |
| Solvents | Solvents -> Chlorinated Aliphatics |
| SpringerMaterials Properties | Acentric factor |
| LogP (Verteilungskoeffizient) | log Kow = 3.223.67 |
| Geruch | Chloroform-likeCamphor-like |
| Dichte | 1.6728 at 77 °F (USCG, 1999) - Denser than waterwill sink1.6796 at 20 °C/4 °CRelative density (water = 1): 1.681.6796 @ 20°C1.68 g/mL at 25 °C(lit.) |
| Viscosity | 2.49X10-3 Pa-sec at 20 °C |
| Color/Form | COLORLESS LIQUID |
| Löslichkeit | less than 0.1 mg/mL at 70 °F (NTP, 1992)Wt per gallon at 20 °C = 14.00 lblatent heat of vaporization at bp = 43.6 cal/g = 78.4 Btu/lbacidity as HCl = 0.001% by wt, maxcoefficient of cubical expansion Av/deg C, liquid = 0.0009097solubility of water in solvent at 20 °C = 0.24 g water/100 gMiscible with ethanol, etherMiscible in most common organic solventsIn water, 4.90X10+2 mg/L at 25 °CSolubility in water: very poorMiscible with alcohol and ether (Windholz et al., 1983)Insoluble in water. |
| Corrosivity | Dry pentachloroethane does not corrode ironif it is stored over longer periods of time, however, the addition of amine stabilizers is recommended. |
| Siedepunkt | 324 °F at 760 mmHg (NTP, 1992)162.0 °C162 °C162 °C @760 [mm Hg]322 °F161-162 °C(lit.) |
| Decomposition | When heated to decomposition it emits highly toxic fumes of /hydrogen chloride/.Decomposition of pentachlorethane with aluminum chloride will produce chloroform. |
| Schmelzpunkt | -20 °F (NTP, 1992)-28.78 °C-29 °C-29--22°C |
| Dampfdruck | 4.5 at 25 °C (Mackay and Shiu, 1981) |
| Brechungsindex | n20/D 1.502(lit.) |
| Flammpunkt | 162°C |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | Liquid |
| Farbe | Colorless |
| Geruch | chloroform-like odor |
| Spezifische Wärmekapazität | Cp(liquid): 0.86 J/(g·K), at 25℃ |
| Merck | 14,7108 |
| BRN | 1736845 |
| Henry-Konstante | 2.11 at 30 °C (headspace-GC, Sanz et al., 1997) |
| Dielektrizitätskonstante | 3.7(16℃) |
| Stabilität | Stable. Non-flammable. Incompatible with strong oxidizing agents. May react violently with alkalies or metals. |
| InChI | 1S/C2HCl5/c3-1(4)2(5,6)7/h1H |
| InChIKey | BNIXVQGCZULYKV-UHFFFAOYSA-N |
| SMILES | ClC(Cl)C(Cl)(Cl)Cl |
| CAS Datenbank | 76-01-7(CAS DataBase Reference) |
| EPA chemische Informationen | Pentachloroethane (76-01-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH351: Suspected of causing cancer [Warning Carcinogenicity]P203, P260, P264, P270, P273, P280, P318, P319, P391, P405, and P501 (click each P-code to see the statement)H302 (56.5%): Harmful if swallowed [Warning Acute toxicity, oral]P203, P260, P264, P270, P273, P280, P301+P317, P318, P319, P330, P391, P405, and P501 (click each P-code to see the statement) |
|---|---|
| Regulatorische Informationen | Chemical: Ethane, pentachloro-Ethane, 1,1,1,2,2-pentachloro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethane, 1,1,1,2,2-pentachloro- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)S - indicates a substance that is identified in a final Significant New Use Rule.Restricted substance: PentachloroethaneThe 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.) |
| Weitere Sicherheitsinformationen | IMAP assessments - Ethane, pentachloro-: Human health tier II assessment |
| DOT-Kennzeichnung | Poison |
| Brandgefahren | Special Hazards of Combustion Products: Contain irritating and toxic chloride vapors.· Non-combustible, substance itself does not burn but may decompose upon heating to produce corrosive and/or toxic fumes.Not combustible. Gives off irritating or toxic fumes (or gases) in a fire. |
| Brandpotenzial | MODERATE, WHEN EXPOSED TO HEAT OR FLAME. |
| Gesundheitsgefahren | Irritation of skin, lungs, eyes, and mucous membranedepression of central nervous systemand toxicity similar to tetrachloroethanes. (USCG, 1999)· Highly toxic, may be fatal if inhaled, ingested or absorbed through skin. |
| Gefahrenübersicht | A central nervous system depressant in acute animal studies[HSDB] An eye and respiratory tract irritantMay cause CNS depressionChronic exposure may cause impaired nervous system function[ICSC] Overexposure may cause liver and kidney injury[NTP] May cause irritationProlonged or repeated inhalation exposure may cause organ injury[Alfa Aesar MSDS] |
| DOT-Nummer und Handbuch | 1669 151 |
| Reaktive Gruppe | Halogenated Organic Compounds |
| EG-Einstufung | Symbol: T, NR: 40-48/23-51/53S: (1/2)-23-36/37-45-61 |
| UN-Einstufung | UN Hazard Class: 6.1UN Pack Group: II |
| Special Reports | USEPAAmbient Water Quality Criteria Doc: Chlorinated Ethanes (1980) EPA 440/5-80-0269DHHS/NTPToxicology & Carcinogenesis Studies of Pentachloroethane in F344/N Rats and B6C3F1 Mice (Gavage Study) Technical Report Series No. 232 (1983) NIH Publication No. 83-1788 |
| Brandbekämpfung | Excerpt from ERG Guide 151 [Substances - Toxic (Non-Combustible)]:In case of fire in the surroundings, use appropriate extinguishing media. In case of fire: keep drums, etc., cool by spraying with water. |
| Erste-Hilfe-Maßnahmen | Fresh air, rest. Refer for medical attention.Remove contaminated clothes. Rinse skin with plenty of water or shower. Refer for medical attention .First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.Rinse mouth. Do NOT induce vomiting. Refer for medical attention . |
| Freisetungsmaßnahmen | · CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.· Do not touch damaged containers or spilled material unless wearing appropriate protective clothing. |
| 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.General First Aid:(General first aid procedures) |
| Sichere Lagerung | Separated from food and feedstuffs, strong bases and powdered metals. Well closed. Keep in a well-ventilated room. |
| Firefighting Hazards | The vapor is heavier than air.Vapors are heavier than air and will collect in low areas. Vapors may travel long distances to ignition sources and flashback. Storage containers and parts of containers may rocket great distances, in many directions. |
| Expositionsschutz und Persönliche Schutzausrüstung | · Wear positive pressure self-contained breathing apparatus (SCBA).5.0 [ppm] |
| Brandbekämpfungsverfahren | To fight fire use water, carbon dioxide, dry chemical.If material on fire or involved in fire: Do not extinguish fire unless flow can be stopped. Extinguish fire using agent suitable for type of surrounding fire (Material itself does not burn or burns with difficulty.). Use water in flooding quantities as fog. Cool all affected containers with flooding quantities of water. Apply water from as far a distance as possible. Use foam, dry chemical, or carbon dioxide. Keep run-off water out of sewers and water sources. |
| Lagerbedingungen | Separated from food and feedstuffs, strong bases and powdered metals. Well closed. Keep in a well-ventilated room....Store in a refrigerator away from alkalis, reactive metals, water. Where possible, automatically pump liquid from drums or other storage containers to process containers. Sources of ignition such as smoking and open flames are prohibited where this chemical is handled, used, or stored. Metal containers involving the transfer of 5 gallons or more of this chemical should be grounded and bonded. Drums must be equipped with self-closing valves, pressure vacuum bungs, and flame arresters. Use only non-sparking tools and equipment, especially when openning and closing containers of this chemical.Before being stored or transported over longer periods of time, chlorinated ethanes ... should be carefully analyzed for water, free acid, and stabilizers because decomposition may lead to excessive corrosion. ... Chlorinated ethanes should not be brought into contact with tanks, containers, valves, etc made of aluminum. /Chloroethanes/ |
| Reinigungsverfahren | Absorb the spills with paper towels or the like materials. Place in a hood to evaporate. Dispose by burning the towel.Environmental considerations: Land spill: Dig a pit, pond, lagoon, holding area to contain liquid or solid material. Dike surface flow using soil, sand bags, foamed polyurethane, or foamed concrete. Absorb bulk liquid with fly ash, cement powder, or commercial sorbents /SRP: If time permits, pits, ponds, lagoons, soak holes, or holding areas should be sealed with an impermeable flexible membrane liner./Environmental considerations: Water spill: Use natural barriers or oil spill control booms to limit spill travel. Remove trapped material with suction hoses.Environmental considerations: Air spill: Apply water spray or mist to knock down vapors.Evacuate and restrict persons not wearing protective equipment from area of spill or leak until clean-up is complete. Remove all ignition sources. Collect powdered material in the most convenient and safe manner and deposit in sealed containers. Ventilate area after clean-up is complete. It may be necessary to contain and dispose of this chemical as a hazardous waste. |
| Freisetung ohne Brand | Excerpt from ERG Guide 151 [Substances - Toxic (Non-Combustible)]: |
| Entsorgungsverfahren | [40 CFR 240-280, 300-306, 702-799 (7/1/2006)] Generators of waste (equal to or greater than 100 kg/mo) containing this contaminant, EPA hazardous waste number U184, must conform with USEPA regulations in storage, transportation, treatment and disposal of waste.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. 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.Incineration after mixing with another combustible fuel. Care must be exercised to assure complete combustion to prevent the formation of phosgene. An acid scrubber is necessary to remove the halo acids produced. Recommendable method: Incineration. |
| Zielorgane | Eyes, skin, respiratory system, central nervous system, liver, kidneys |
| Ökotoxizitätswerte | LC50 Mysidopris bahia (Mysid shrimp) 5,060 ug/L/96 hr in an unmeasured, static bioassay.LC50 Mysidopsis bahia (mysid shrimp) 390 ug/L/96 hr in a measured, flow-through bioassay.Species: Cyprinodon variegatus (Sheepshead minnow, juvenile, age 14-28 days post hatch, standard length 8-15 mm)Conditions: saltwater, static, 25-31 °C, salinity 10-31 pptConcentration: 120 ppm for 24 hr (110-130 ppm) />80% purity/Concentration: 120 ppm for 48 hr (110-150 ppm) />80% purity/For more Ecotoxicity Values (Complete) data for PENTACHLOROETHANE (25 total), please visit the HSDB record page. |
| Umweltverhalten | TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 1340(SRC), determined from a log Kow of 3.22(2) and a regression-derived equation(3), indicates that pentachloroethane is expected to have low mobility in soil(SRC). Volatilization of pentachloroethane from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 1.9X10-3 atm-cu m/mole(SRC), derived from its vapor pressure of 3.50 mm Hg(4) and water solubility of 4.90X10+2 mg/L(5). Pentachloroethane may volatilize from dry soil surfaces(SRC) based upon its vapor pressure(4). Similar degradation rates (90-100% loss in 30 days) were obtained during sterile and non-sterile anoxic biodegradation teststherefore, the degradation of pentachloroethane in soil is expected to be dominated by abiotic processes(6,7).AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 1340(SRC), determined from a log Kow of 3.22(2) and a regression-derived equation(3), indicates that pentachloroethane 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 1.9X10-3 atm-cu m/mole(SRC), derived from its vapor pressure, 3.50 mm Hg(4), and water solubility, 4.90 mg/L(5). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 5 hours and 6 days, respectively(SRC). According to a classification scheme(6), a measured BCF of 67(7), suggests the potential for bioconcentration in aquatic organisms is moderate(SRC). Similar results were observed in sterile and non-sterile degradation teststherefore, the degradation of pentachloroethane in water is expected to be dominated by abiotic processes(8,9). The hydroloysis half-life of pentachloroethane was calculated to be 3.7 days at 25 °C and pH 7(10).ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), pentachloroethane, which has a vapor pressure of 3.50 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase pentachloroethane 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 69 days(SRC), calculated from its rate constant of 2.33X10-13 cu cm/molecule-sec at 25 °C(3). Pentachloroethane does not contain chromophores that absorb at wavelengths >290 nm(4) and therefore is not expected to be susceptible to direct photolysis by sunlight(SRC). |
| Unerwünschte Wirkungen | Neurotoxin - Acute solvent syndrome |
| Expositionspfade | The substance can be absorbed into the body by inhalation and by ingestion.inhalation, ingestion, skin and/or eye contact |
| Signs and Symptoms | Confusion. Cough. Dizziness. Headache. Nausea. Sore throat. Vomiting.Dry skin.Redness. Pain.Abdominal pain. Diarrhoea. Further see Inhalation.In Animals: irritation eyes, skinlassitude (weakness, exhaustion), restlessness, irreg respiration, muscle incoordinationliver, kidney, lung changes |
| Ongoing Test Status | The following link will take the user to the National Toxicology Program (NTP) Test Agent Search Results page, which tabulates all of the "Standard Toxicology & Carcinogenesis Studies", "Developmental Studies", and "Genetic Toxicity Studies" performed with this chemical. Clicking on the "Testing Status" link will take the user to the status (i.e., in review, in progress, in preparation, on test, completed, etc.) and results of all the studies that the NTP has done on this chemical. [http://ntp-apps.niehs.nih.gov/ntp_tox/index.cfm?fuseaction=ntpsearch.searchresults&searchterm=76-01-7] |
| Effluent Concentrations | Pentachloroethane was identified in the spent chlorination liquor from the bleaching of sulphite pulp at a concentration corresponding to 0.1 g/ton pulp process(1). During August 1972, pentachloroethane was detected in chlorinated effluent from a sewage treatment plant(2). Pentachloroethane has been detected in fly ash resulting from waste incineration (concentration unspecified)(3). |
| ICSC Environmental Data | The substance is toxic to aquatic organisms. |
| Soil Adsorption/Mobility | The Koc of pentachloroethane is estimated as 1340(SRC), using a log Kow of 3.22(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that pentachloroethane is expected to have low mobility in soil. |
| Atmospheric Concentrations | URBAN/SUBURBAN: During 1976-1977 pentachloroethane was detected in 0 out of 74 air samples collected in urban/suburban areas(1).INDOOR: During a nationwide survey of indoor air concentrations conducted in Canada during 1991, the mean concentration of pentachloroethane detected in the air of 185 Canadian homes sampled during the winter was 0.03 ug/cu m(1). Pentachloroethane was not detected in air samples collected from homes sampled in the spring (178 homes), summer (197 homes), or fall (194 homes)(1).RURAL/REMOTE: Monitoring data obtained from samples collected in the Atlantic Ocean between 1982 and 1985 indicate that the average baseline level of pentachloroethane in the Northern hemisphere was 0.1 part per trillion/volume. In tradewind systems and in the Southern hemisphere the baseline level was below the detection limit (0.02 to 0.04 part per trillion/volume)(1). During 1976-1977 pentachloroethane was detected in 0 out of 2 air samples collected in rural/remote areas(2). During Feb 1977 trace levels of pentachloroethane were found in the ambient air of Iberville Parish, LA(3).SOURCE DOMINATED: During 1976-1977 pentachloroethane was detected in 2 out of 54 air samples in source dominated areas(1). During Feb 1977, a pentachloroethane concentration of 3,984 ng/cu m was detected in ambient air collected from Dow Chemical Property in Freeport, TX(2). |
| Human Toxicity Excerpts | /SIGNS AND SYMPTOMS/ Symptomatology: 1. Prompt nausea, vomiting and abdominal pain. ... After ingestion, hematemesis, and diarrhea. 2. Headaches, dizziness, confusion, drowsiness, & occasionally, convulsions. 3. Visual disturbances. ... 4. ... Coma and death from resp arrest or circulatory collapse. 5. Occasionally sudden death due to ventricular fibrillation. ... 8. Oliguria, albuminuria, anuria, gradual wt gain, edema. 9. Anorexia, jaundice, & rt upper quadrant pain due to an enlarged and tender liver. /Carbon tetrachloride//OTHER TOXICITY INFORMATION/ /Produces/ more potent central nervous effects than chloroform or even tetrachloroethane. |
| RCRA-Anforderungen | U184As stipulated in 40 CFR 261.33, when pentachloroethane, 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 | All persons who manufacture (including import or manufacture as a byproduct) or process or intend to manufacture or process one or more of the substances in paragraph c of this section, other than as an impurity, after July 29, 1988, to the end of the reimbursement period shall submit letters of intent to conduct testing, submit study plans, conduct tests, and submit data, or submit exemption applications for those substances they manufacture or process, or intend to manufacture or process, as specified in this section, subpart A of this part, and parts 790 and 792 of this chapter for single-phase rulemaking. Pentachloroethane is included on this list. Required testing: hydrolysis. |
| 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 10 lb or 4.54 kg. The toll free number of the NRC is (800) 424-8802. 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 Federal Water Pollution Control Act and is subject to effluent limitations. /Chlorinated ethanes/ |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 1669 |
| RTECS-Nr. | KI6300000 |
| R-Sätze (R) | 40-48/23-51/53-48/20-39/23/24/25-36/38-23/24/25-11 |
| Toxizität | MLD (mg/kg) in dogs: 1750 orally100 i.v.in rabbits: 700 s.c. (Barsoum, Saad) |
| Gefahrensymbole | T,N |
| Sicherheitshinweise (S) | 23-36/37-45-61-26 |
| Gefahrenklasse | 6.1Acute Tox. 4 OralAquatic Chronic 2Carc. 2STOT RE 1 |
| Verpackungsgruppe | II |
| Lagerklasse | 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials |
| Gefahrstoffdaten | 76-01-7(Hazardous Substances Data) |
Anwendungen & Verwendung
Verwenden
Pentachloroethane has been used as a solvent and chemical intermediate but has had little commercial utilization. Pentachloroethane is used as a solvent for oil and grease in metal cleaning; in the separation of cola from impurities by density difference; as a chemical intermediate in the manufacture of tetrachloroethylene and dichloroacetic acid; as a solvent for cellulose acetate, certain cellulose ethers, resins, and gums; as a drying agent for timber by immersion at temperatures greater than 100C; in dry cleaning and soil sterilizing.