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Hexachlorpropen
1,1,1,2,3,3-hexachloropropene · Perchlorpropen · PERCHLOROPROPENE · hexachloropylene · hexachloro-propen · Hexachloropropene · Perchloropropylene · HEXACHLOROPROPYLENE
Identifikatoren & physikalische Daten
| CAS No. | 1888-71-7 |
|---|---|
| Summenformel | C3Cl6 |
| Durchschnittliche Molmasse | 248,7 g/mol |
| Monoisotopische Masse | 245,81311608 g/mol |
| SMILES | ClC(Cl)=C(Cl)C(Cl)(Cl)Cl |
| InChIKey | VFDYKPARTDCDCU-UHFFFAOYSA-N |
| PubChem CID | 15902 |
| EC No. | 217-560-9 |
| DTXSID | DTXSID7062039 |
| Lokaler Name | Hexachlorpropen |
Chemische & physikalische Eigenschaften
| XLogP | 4,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 126 |
| Solvents | Solvents -> Chlorinated Aliphatics |
| SpringerMaterials Properties | Schoenflies notation |
| Dichte | 1.7632 at 20 °C/4 °C1.76 @ 20°C1.765 g/mL at 25 °C(lit.) |
| Color/Form | WATER-WHITE LIQUID |
| Löslichkeit | MIscible with alcohol, ether, chlorinated solventsIn water= 17 mg/l at 25 °CAcetonitrile (Slightly), Chloroform (Sparingly), Methanol (Slightly)Insoluble in water. |
| Siedepunkt | 209.5 °C209-210 °C(lit.) |
| Schmelzpunkt | -72.9 °C-73°C |
| Dampfdruck | 0.24 [mmHg]0.244 mm Hg at 25 °C /from experimentally-derived coefficients/0.244 [mm Hg] @25 °C |
| Brechungsindex | Index of Refraction= 1.5091 at 20 °Cn20/D 1.549(lit.) |
| Physical Description | Hexachloropropene is a clear colorless liquid. Insoluble in water. Used as a plasticizer and hydraulic fluid.Water-white liquid[HSDB] Colorless liquid[MSDSonline] |
| Dampfdichte | 8.3 (vs air) |
| Flammpunkt | 209-210°C |
| Lagerbedingungen | Refrigerator, Under inert atmosphere |
| Aggregatzustand | Oil |
| Farbe | Colourless |
| BRN | 1766640 |
| Henry-Konstante | 2.1×10-3 mol/(m3Pa) at 25℃, Duchowicz et al. (2020) |
| Dielektrizitätskonstante | 2.7799999999999998 |
| Stabilität | Stable. Incompatible with strong oxidizing agents. |
| CAS Datenbank | 1888-71-7(CAS DataBase Reference) |
| EPA chemische Informationen | Hexachloropropene (1888-71-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P260, P261, P264, P264+P265, P271, P280, P284, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P320, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 47 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: 1-Propene, 1,1,2,3,3,3-hexachloro-S - indicates a substance that is identified in a final Significant New Use Rule.Hexachloropropene: Does not have an individual approval but may be used under an appropriate group standardThe 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 | Poison Inhalation Hazard |
| Brandgefahren | Excerpt from ERG Guide 151 [Substances - Toxic (Non-Combustible)]: |
| Gesundheitsgefahren | Excerpt from ERG Guide 151 [Substances - Toxic (Non-Combustible)]: |
| Gefahrenübersicht | May cause liver damage when ingested[HSDB] A skin and eye irritant[eChemPortal: ERMA] An irritantMay cause lacrimationEffects in high-dose animal studies include liver and kidney injury[MSDSonline] |
| Reaktive Gruppe | Halogenated Organic Compounds |
| RCRA-Anforderungen | U243As stipulated in 40 CFR 261.33, when hexachloropropene, 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-propene, 1,1,2,3,3,3-hexachloro- is included on this list. |
| Reactivity Profile | HEXACHLOROPROPENE is substantially less reactive than less heavily chlorinated propenes. Nonflammable and not polymerizable. May be incompatible with strong oxidizing agents, strong reducing agents, many amines, nitrides, azo/diazo compounds, alkali metals, and epoxides. |
| Air and Water Reactions | Insoluble in water. |
| EPA Hazardous Waste Number | U243A toxic waste when a discarded commercial chemical product or manufacturing chemical intermediate or an off-specification commercial chemical product or manufacturing chemical intermediate. |
| 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 1000 lb or 454 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). |
| Brandbekämpfung | Excerpt from ERG Guide 151 [Substances - Toxic (Non-Combustible)]: |
| Erste Hilfe | Excerpt from ERG Guide 151 [Substances - Toxic (Non-Combustible)]: |
| Freisetung ohne Brand | Excerpt from ERG Guide 151 [Substances - Toxic (Non-Combustible)]: |
| Entsorgungsverfahren | Generators of waste (equal to or greater than 100 kg/mo) containing this contaminant, EPA hazardous waste number U243, must conform with USEPA regulations in storage, transportation, treatment and disposal of waste. |
| Preventive Measures | SRP: The scientific literature for the use of contact lenses in industry is conflicting. The benefit or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place. |
| Isolation and Evacuation | Excerpt from ERG Guide 151 [Substances - Toxic (Non-Combustible)]: |
| Protective Action Criteria (PAC) | 0.089 [ppm]0.98 [ppm]5.9 [ppm] |
| Personal Protective Equipment (PPE) | Excerpt from ERG Guide 151 [Substances - Toxic (Non-Combustible)]: |
| Umweltverhalten | TERRESTRIAL FATE: Based on a recommended classification scheme(1), an estimated Koc value of 470(SRC), determined from a structure estimation method(2), indicates that hexachloropropene will have moderate mobility in soil(SRC). Volatilization of hexachloropropene may be important from moist soil surfaces(SRC) given an estimated Henry's Law constant of 1.6X10-3 atm-cu m/mole(SRC), using a fragment constant estimation method(3). Volatilization from dry soil surfaces(SRC) is expected based on a extrapolated vapor pressure of 0.244 mm Hg(4,SRC).AQUATIC FATE: Based on a recommended classification scheme(1), an estimated Koc value of 470(SRC), determined from a structure estimation method(2), indicates that hexachloropropene may adsorb to suspended solids and sediment in water(SRC). Hexachloropropene may volatilize from water surfaces(1,SRC) based on an estimated Henry's Law constant of 1.6X10-3 atm-cu m/mole(SRC), developed using a fragment constant estimation method(3). Estimated volatilization half-lives for a model river and model lake are 5 hours and 7 days, respectively(1,SRC). According to a classification scheme(5), an estimated BCF value of 130(1,SRC), from a measured water solubility(4), suggests that bioconcentration in aquatic organisms is high(SRC).ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), hexachloropropene, which has an extrapolated vapor pressure of 0.244 mm Hg at 25 °C(2,SRC), will exist solely as a vapor in the ambient atmosphere. Vapor-phase hexachloropropene 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 about 21 days(3,SRC). |
| Unerwünschte Wirkungen | Neurotoxin - Acute solvent syndrome |
| Soil Adsorption/Mobility | Using a structure estimation method based on molecular connectivity indices(1), the Koc for hexachloropropene can be estimated to be about 470(SRC). According to a recommended classification scheme(2), this estimated Koc value suggests that hexachloropropene has moderate mobility in soil(SRC). |
| TSCA Test Submissions | Acute oral toxicity was evaluated in groups of 2 rats (sex and strain not reported) administered hexachloropropene as a 20% solution in corn oil by gavage at a level of 0.252, 0.50, or 1.0 g/kg body weight. After 2 days mortality was observed in 1 animal in the 0.50 g/kg dose group and in both animals in the 1.0 g/kg group. An LD50 value and clinical observations were not reported. Necropsy revealed extensive liver and kidney damage.Acute oral toxicity was evaluated in rats (sex, strain and number not reported) administered hexachloropropene as a 5% solution in olive oil by gavage at a levels higher than 1.0 g/kg body weight or less than 0.3 g/kg. Mortality was observed in all animals receiving a dose of 1.0 g/kg or more. An LD50 value, clinical observations and necropsy evaluations were not reported.Acute dermal toxicity was evaluated in groups of 2 rabbits (sex and strain not reported) receiving single occluded application of hexachloropropene as a 12.5% solution in Dowanol DPM at a level of 0.063, 0.125, or 0.252 g/kg body weight for 24 hours. Mortality was observed in 1 rabbit in the 0.125 g/kg dose group and in both animals in the 0.252 group. An LD50 value was not reported. Clinical observations included marked hyperemia and edema at the area of application. Necropsy evaluations were not reported.Acute dermal toxicity was evaluated in guinea pigs (sex, strain and number not reported) exposed to hexachloropropene at a level of 0.6 cc/kg body weight or 0.2 cc/kg for 2 hours (method of dermal administration not reported). The authors report that exposure to 0.6 cc/kg was lethal for the guinea pigs whereas 0.2 cc/kg allowed survival. An LD50 value, clinical observations and necropsy evaluations were not reported.For more TSCA Test Submissions (Complete) data for PERCHLOROPROPENE (6 total), please visit the HSDB record page. |
| Human Toxicity Excerpts | Chloropropanes and chloropropenes cause contact dermatitis, headaches vertigo, tearing, irritation of mucous membranes, and when ingested, liver damage in humans. /Chloropropanes and chloroproenes/ |
| Artificial Pollution Sources | Hexachloropropene's production and use as a chemical intermediate in the production of uranium tetrachloride(1), as a solvent, plasticizer, and its use in hydraulic fluid(2) may result in its release to the environment through various waste streams(SRC). |
| Environmental Bioconcentration | An estimated BCF value of 130 was calculated for hexachloropropene(SRC), using a measured water solubility of 17 mg/l(1) and a recommended regression-derived equation(2). According to a classification scheme(3), this BCF value suggests that bioconcentration in aquatic organisms is high(SRC). |
| Volatilization from Water/Soil | The Henry's Law constant for hexachloropropene is estimated as 1.6X10- 3 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This value indicates that hexachloropropene will volatilize from water surfaces(2,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 5 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 7 days(2,SRC). Hexachloropropene's values for vapor pressure, 0.244 mm Hg(3,SRC) and Henry's Law constant(1,SRC) indicate that volatilization from dry and moist soil surfaces may occur(SRC). |
| Environmental Abiotic Degradation | The rate constant for the vapor-phase reaction of hexachloropropene with photochemically-produced hydroxyl radicals has been estimated as 7.7X10-11 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1,SRC). This corresponds to an atmospheric half-life of about 21 days at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1,SRC). |
| Probable Routes of Human Exposure | NIOSH (NOES Survey 1981-1983) has statistically estimated that 1821 workers (273 of these are female) are potentially exposed to hexachloropropene in the USA(1). Occupational exposure may be through inhalation and dermal contact with this compound at workplaces where hexachloropropene is produced or used(SRC). |
| Environmental Fate/Exposure Summary | Hexachloropropene's production and use as a chemical intermediate in the production of uranium tetrachloride, as a solvent, plasticizer, and its use in hydraulic fluid may result in its release to the environment through various waste streams. If released to the atmosphere, hexachloropropene will exist solely in the vapor phase in the ambient atmosphere, based on an extrapolated vapor pressure of 0.244 mm Hg at 25 °C. Vapor-phase hexachloropropene is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals with an estimated half-life of about 21 days. An estimated Koc value of 470 suggests that hexachloropropene will have moderate mobility in soil. Volatilization from moist soil surfaces is expected based on an estimated Henry's Law constant of 1.6X10-3 atm-cu m/mole. Volatilization from dry soil surfaces may occur given the vapor pressure of this compound. In water, hexachloropropene may adsorb to sediment or particulate matter based on its Koc value. This compound is expected to volatilize from water surfaces given its estimated Henry's Law constant. Estimated volatilization half-lives for a model river and model lake are 5 hours and 7 days, respectively. Bioconcentration in aquatic organisms is expected to be high based on an estimated BCF value of 130. Occupational exposure will occur through inhalation or dermal contact at workplaces where hexachloropropene is produced or used. (SRC) |
| Toxicity Data | LC50 (rat) = 425 ppm/30min |
| F | 19 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3382 6.1/PG 1 |
| RTECS-Nr. | UD0175000 |
| R-Sätze (R) | 23-36/37/38 |
| Gefahrensymbole | T |
| Sicherheitshinweise (S) | 26-36/37/39-45 |
| Gefahrenklasse | 6.1 |
| Verpackungsgruppe | III |
| Gefahrstoffdaten | 1888-71-7(Hazardous Substances Data) |
Anwendungen & Verwendung
Verwenden
Hexachloropropene is used in method for purifying Hydrofluorocarbons.