HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Tetrabutylzinn
TETRA-N-BUTYLTIN · TETRABUTYLSTANNANE · (C4H9)4Sn · tetrabutyl-ti · Tetrabutyltin · Tetrabutylzinn · TIN TETRABUTYL · tetra-n-butylcin
Identifikatoren & physikalische Daten
| CAS No. | 1461-25-2 |
|---|---|
| Summenformel | C16H36Sn |
| Durchschnittliche Molmasse | 347,2 g/mol |
| Monoisotopische Masse | 348,18389585 g/mol |
| SMILES | CCC[CH2][Sn]([CH2]CCC)([CH2]CCC)[CH2]CCC |
| InChIKey | AFCAKJKUYFLYFK-UHFFFAOYSA-N |
| PubChem CID | 15098 |
| EC No. | 215-960-8 |
| DTXSID | DTXSID4022153 |
| Lokaler Name | Tetrabutylzinn |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 0 |
|---|---|
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 12 |
| Schwere Atome | 17 |
| Formalladung | 0 |
| Komplexität | 116 |
| Stoffklassen | Metals -> Tin Compounds, Organic |
| Geruch | Distinct, characteristic odor |
| Dichte | 1.054 g/cu cm at 20 °C1.057 g/mL at 25 °C (lit.) |
| Color/Form | Colorless or slightly yellow oily liquid |
| Löslichkeit | Insol in watersol in most organic solvents0.008g/linsoluble |
| Siedepunkt | 145 °C @ 10 mm Hg127-145 °C/10 mmHg (lit.) |
| Decomposition | When heated to decomposition it emits acrid smoke and fumes.DECOMPOSES AT 265 °C |
| Schmelzpunkt | -97 °C-97 °C (lit.) |
| Dampfdruck | 0.0048 [mmHg]0.0048 mm Hg at 20 °C0.0014 hPa (25 °C) |
| Brechungsindex | Index of refraction: 1.4727 @ 20 °Cn20/D 1.473(lit.) |
| Heat of Vaporization | 61.3 kJ/mol |
| Physical Description | LiquidColorless or slightly yellow liquid[Hawley] Colorless liquid[MSDSonline] |
| Flammpunkt | 225 °F |
| Lagerbedingungen | Store below +30°C. |
| Aggregatzustand | liquid |
| Farbe | colorless |
| Wichte | 1.0572 |
| BRN | 3648237 |
| Henry-Konstante | 1.6×10-6 mol/(m3Pa) at 25℃, HSDB (2015) |
| Dielektrizitätskonstante | 9.7400000000000002 |
| Stabilität | Stable. Incompatible with strong oxidizing agents. Combustible. |
| InChI | 1S/4C4H9.Sn/c4*1-3-4-2/h4*1,3-4H2,2H3 |
| InChIKey | AFCAKJKUYFLYFK-UHFFFAOYSA-N |
| SMILES | CCCC[Sn](CCCC)(CCCC)CCCC |
| LogP (Verteilungskoeffizient) | 5.07 at 22℃ |
| CAS Datenbank | 1461-25-2(CAS DataBase Reference) |
| NIST chemische Informationen | Stannane, tetrabutyl-(1461-25-2) |
| EPA chemische Informationen | Tetrabutyltin (1461-25-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (86.3%): Toxic if swallowed [Danger Acute toxicity, oral]P260, P264, P264+P265, P270, P273, P280, P301+P316, P301+P317, P302+P352, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 51 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.WarningH317: May cause an allergic skin reaction [Warning Sensitization, Skin] |
|---|---|
| Regulatorische Informationen | Chemical: Stannane, tetrabutyl-Stannane, tetrabutyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Stannane, tetrabutyl- 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)Status: Active Update: 28-04-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/13445Tetrabutyltin: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | IMAP assessments - Stannane, tetrabutyl-: Human health tier II assessment |
| Gefahrenübersicht | In lethal dose animal studies, causes somnolence (general depressed behavior)Oral LD50 (rat) = 1268 mg/kgIntravenous LD50 (rat) = 48 mg/kg[ChemIDplus] An irritant[Hawley] An irritantMay cause skin and respiratory sensitization after prolonged contact[MSDSonline] See ORGANOMETALS. See Tin, organic compounds. |
| Hazard Classes and Categories | Acute Tox. 3 (86.3%)Eye damage - category 1Serious eye damage/eye irritation - Category 2BSkin sensitization - Category 1A |
| Landesrichtlinien für Trinkwasser | (MN) MINNESOTA 4000 ug/l /Tin/ |
| Shipping Name/ Number DOT/UN/NA/IMO | UN 3146Organotin cmpd, solid, not otherwise specifiedUN 2788Organotin cmpd, liquid, not otherwise specifiedIMO 6.1Organotin cmpd, liquid or solid, not otherwise specified |
| Expositionsschutz und Persönliche Schutzausrüstung | 0.02 [mg/m3], inhalable fraction[German Research Foundation (DFG)] |
| Entsorgungsverfahren | 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. |
| Preventive Measures | Clothing contaminated with ... tetrabutyltin ... should be placed in closed containers for storage until it can be discarded or until provision is made for the removal of contaminant from the clothing. If the clothing is to be laundered or otherwise cleaned to remove the contaminant, the person performing the operation should be informed of contaminant's hazard properties. ... Non-impervious clothing which becomes contaminated with ... tetrabutyltin ... should be removed promptly & not reworn until the contaminant is removed. ...Skin that becomes contaminated with ... tetrabutyltin ... should be promptly washed or showered with soap or mild detergent & water to remove any contaminant. ... Eating & smoking should not be permitted in areas where ... tetrabutyltin ... is handled, processed, or stored.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. |
| Threshold Limit Values (TLV) | 0.1 [mg/m3], as Sn0.2 [mg/m3], as Sn8 hr Time Weighted Avg (TWA): 0.1 mg/cu m15 min Short Term Exposure Limit (STEL): 0.2 mg/cu m, skin. /Tin, organic cmpd, as Sn/A4Not classifiable as a human carcinogen. /Tin, organic cmpd, as Sn/ |
| Permissible Exposure Limit (PEL) | 0.1 [mg/m3], as Sn |
| Personal Protective Equipment (PPE) | Employees should be provided with & required to use impervious clothing, gloves, face shields (8 inch minimum), & other appropriate protective clothing necessary to prevent repeated or prolonged skin contact with ... solid or liquid tetrabutyltin. ... Employees should be provided with & required to use dust- & splash-proof safety goggles where ... liquid tetrabutyltin ... may contact the eyes. |
| Immediately Dangerous to Life or Health (IDLH) | 25.0 [mg/m3], as Sn |
| Gesundheitliche Auswirkungen | Breathing or swallowing, or skin contact with organotins, can interfere with the way the brain and nervous system work, causing death in severe cases. Organic tin compounds may also damage the immune and reproductive system. (L307, L308) |
| Ökotoxizitätswerte | LC50 Pimephales promelas (fathead minnow) 45.2 ug/l/96 hr (confidence limit 41.6 - 49.2 mg/l), flow-through bioassay with measured concentrations, 25.3 °C, dissolved oxygen 6.8 mg/l, hardness 44.3 mg/l calcium carbonate, alkalinity 44.1 mg/l calcium carbonate, and pH 7.7.EC50 Pimephales promelas (fathead minnow) 45.2 ug/l/96 hr (confidence limit 41.6 - 49.2 mg/l), flow-through bioassay with measured concentrations, 25.3 °C, dissolved oxygen 6.8 mg/l, hardness 44.3 mg/l calcium carbonate, alkalinity 44.1 mg/l calcium carbonate, and pH 7.7. Effect: loss of equilibrium. |
| Umweltverhalten | TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 101,400(SRC), determined from a structure estimation method(2), indicates that tetra-n-butyl tin is expected to be immobile in soil(SRC). Volatilization of tetra-n-butyl tin from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 6 atm-cu m/mole(SRC), using a fragment constant estimation method(3). However, adsorption may attenuate this process. Tetra-n-butyl tin is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 0.0048 mm Hg(4). Tetrabutyltin may be susceptible to biodegradation in soil based upon possible biodegradability of other butyltin compounds such as tri-, di- and monobutyltin species(5).AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 101,400(SRC), determined from a structure estimation method(2), indicates that tetra-n-butyl tin 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 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 5 hrs and 7 days, respectively(SRC). However, volatilization from water surfaces is expected to be attenuated by adsorption to suspended solids and sediment in the water column. The estimated volatilization half-life from a model pond is 2.5 yrs if adsorption is considered(5). According to a classification scheme(6), an estimated BCF of 100(SRC), from an estimated log Kow of 9.4(7) and a regression-derived equation(8), suggests the potential for bioconcentration in aquatic organisms is moderate(SRC). Tetrabutyltin may be susceptible to biodegradation in water based upon possible biodegradability of other butyltin compounds such as tri-, di- and monobutyltin species(9).ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), tetra-n-butyl tin, which has a vapor pressure of 0.0048 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase tetra-n-butyl tin 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 7 hrs(SRC), calculated from its rate constant of 5.69X10-11 cu cm/molecule-sec at 25 °C(SRC) determined using a structure estimation method(3). It may be susceptible to direct photolysis based upon the absorption of UV light >290 nm by tri-, di-, and monobutyltin compounds(4), and should react with photochemically produced hydroxyl radicals. |
| Unerwünschte Wirkungen | Neurotoxin - Other CNS neurotoxin |
| Expositionspfade | Oral (L308)inhalation (L308)dermal (L308) |
| Toxizitätsübersicht | Organotin compounds produce neurotoxic and immunotoxic effects. Organotins may directly activate glial cells contributing to neuronal cell degeneration by local release of pro-inflammatory cytokines, tumor necrosis factor-_, and/or interleukins. They may also induce apoptosis by direct action on neuronal cells. Organotin compounds stimulate the neuronal release of and/or decrease of neuronal cell uptake of neurotransmitters in brain tissue, including aspartate, GABA, glutamate, norepinephrine, and serotonin. This may be either a contributing factor to or result of the neuronal cell loss. The immunotoxic effects of organotins are characterized by thymic atrophy caused by the suppression of proliferation of immature thymocytes and apoptosis of mature thymocytes. Organotin compounds are believed to exert these effects by suppressing DNA and protein synthesis, inducing the expression of genes involved in apoptosis (such as nur77), and disrupting the regulation of intracellular calcium levels, giving rise to the uncontrolled production of reactive oxygen species, release of cytochrome c to the cytosol, and the proteolytic and nucleolytic cascade of apoptosis. The suppression of proliferation of immature thymocytes further results in the suppression of T-cell-mediated immune responses. Organotins are also endocrine disruptors and are believed to contribute to obesity by inappropriate receptor activation, leading to adipocyte differentiation. Inorganic tin triggers eryptosis, contributing to tin-induced anemia. (L308, A182, A184) |
| Signs and Symptoms | Inorganic or organic tin compounds placed on the skin or in the eyes can produce skin and eye irritation. (L308) |
| Soil Adsorption/Mobility | Using a structure estimation method based on molecular connectivity indices(1), the Koc for tetra-n-butyl tin can be estimated to be 101,400(SRC). According to a classification scheme(2), this estimated Koc value suggests that tetra-n-butyl tin is expected to be immobile in soil. |
| Artificial Pollution Sources | Tetra-n-butyl tin's production and use as a rust inhibitor and chemical intermediate(1) may result in its release to the environment through various waste streams(SRC). |
| Environmental Biodegradation | Tetrabutyltin may be susceptible to biodegradation in water based upon possible biodegradability of other butyltin compounds such as tri-, di- and monobutyltin species(1), although no data concerning biodegradation of tetrabutyltin were located(SRC). |
| Sediment/Soil Concentrations | SEDIMENT: Tetrabutyltin was detected and quantified in 1 of 235 samples of the top 2 cm of sediment from bodies of surface water in Canada sampled between 1982-1985 at concentration of 0.02 ppm Sn (dry wt)tetrabutyltin also was detected, not quantified in another 1 of the samples (concn range from approx 3.3 ppb Sn (dry wt) (limit of detection) to <0.01 ppm Sn (dry wt) (limit of quantitation))(1). |
| Carcinogen Classification | No indication of carcinogenicity to humans (not listed by IARC). |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 1760 8/PG 2 |
| Zollcode | 29310095 |
| RTECS-Nr. | WH8605000 |
| R-Sätze (R) | 21-25-36/38-48/23/25-50/53-48/23 |
| Toxizität | LD50 orally in Rabbit: 1268 mg/kg |
| Gefahrensymbole | T,N |
| Sicherheitshinweise (S) | 35-36/37/39-45-60-61 |
| Gefahrenklasse | 6.1(b)Aquatic Acute 1Aquatic Chronic 1Eye Dam. 1Repr. 2Skin Irrit. 2Skin Sens. 1STOT RE 1 |
| Verpackungsgruppe | III |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
| Gefahrstoffdaten | 1461-25-2(Hazardous Substances Data) |
Anwendungen & Verwendung
Verwenden
Tetrabutyltin, which is used in hydrogenolysis reactions and as a transition metal catalyst.