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2,3,4,5,6-Pentabromtoluol
2,3,4,5,6-Pentabromotoluene 98% · Flamex 5BT · Flammex 5BT · PENTABROMOTOLUENE · 2,3,4,5,6-PENTABROMO · PENTABROMOMETHYLBENZENE · 1,2,3,4,5-PENTABROMOTOLUENE · 2,3,4,5,6-Pentabromotoluene
Identifikatoren & physikalische Daten
| CAS No. | 87-83-2 |
|---|---|
| Summenformel | C7H3Br5 |
| Durchschnittliche Molmasse | 486,62 g/mol |
| Monoisotopische Masse | 481,61516 g/mol |
| SMILES | Cc1c(Br)c(Br)c(Br)c(Br)c1Br |
| InChIKey | OZHJEQVYCBTHJT-UHFFFAOYSA-N |
| PubChem CID | 6906 |
| EC No. | 201-774-4 |
| DTXSID | DTXSID3025833 |
| Lokaler Name | 2,3,4,5,6-Pentabromtoluol |
Chemische & physikalische Eigenschaften
| XLogP | 5,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 146 |
| Stoffklassen | Other Classes -> Halogenated Monoaromatics |
| Dichte | 2.97 at 63 °F (NTP, 1992) - Denser than waterwill sink3.0088 (rough estimate) |
| Löslichkeit | Insoluble (<1 mg/ml) (NTP, 1992)Benzene (Slightly), Chloroform (Slightly, Heated), DMSO (Slightly, Heated)Insoluble in water. |
| Schmelzpunkt | 550 °F (NTP, 1992)285-286 °C(lit.) |
| Dampfdruck | 0.0000108 [mmHg] |
| Physical Description | Pentabromotoluene is a colorless powder. Insoluble in water. (NTP, 1992)Colorless solid[CAMEO] White solid[MSDSonline] |
| Siedepunkt | 356.78°C (rough estimate) |
| Brechungsindex | 1.6303 (estimate) |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | Solid |
| Farbe | White to Off-White |
| Henry-Konstante | 4.0×10-1 mol/(m3Pa) at 25℃, Xiao et al. (2012) |
| Stabilität | Stable. |
| Hauptanwendungen | environmental |
| InChI | InChI=1S/C7H3Br5/c1-2-3(8)5(10)7(12)6(11)4(2)9/h1H3 |
| InChIKey | OZHJEQVYCBTHJT-UHFFFAOYSA-N |
| SMILES | C1(Br)=C(C)C(Br)=C(Br)C(Br)=C1Br |
| CAS Datenbank | 87-83-2(CAS DataBase Reference) |
| EPA chemische Informationen | Pentabromomethylbenzene (87-83-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, 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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Benzene, pentabromomethyl-Hazard Traits - Developmental Toxicity |
| Brandgefahren | Flammability data for this compound is not available but it is probably nonflammable. (NTP, 1992) |
| Gefahrenübersicht | Causes other changes to liver/kidneys, normocytic anemia, and changes in thyroid weight in feeding studies of rats[RTECS] An irritant[MSDSonline] |
| Reaktive Gruppe | Aryl Halides |
| Reactivity Profile | Simple aromatic halogenated organic compounds are very unreactive. Halogenated organics generally become less reactive as more of their hydrogen atoms are replaced with halogen atoms. Materials in this group are incompatible with strong oxidizing and reducing agents. Also, they are incompatible with many amines, nitrides, azo/diazo compounds, alkali metals, and epoxides. |
| Air and Water Reactions | Insoluble in water. |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Brandbekämpfung | Any fires involving this compound should be controlled with a dry chemical, carbon dioxide or halon extinguisher. (NTP, 1992) |
| 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. |
| Freisetung ohne Brand | SMALL SPILLS AND LEAKAGE: You should dampen the solid spill material with acetone, then 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 adsorbent paper in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with acetone followed by washing with a strong soap and water solution. Do not reenter the contaminate area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned. |
| Personal Protective Equipment (PPE) | 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) |
| Artificial Pollution Sources | PENTABROMOTOLUENE WAS IDENTIFIED IN SEWAGE SLUDGE SAMPLES FROM SWEDISH WASTE-WATER TREATMENT PLANTS.USE OF BROMINATED AROMATICS AS FLAME RETARDANTS IS POTENTIAL SOURCE OF ENVIRONMENTAL CONTAMINATION. |
| Non-Human Toxicity Excerpts | Pentabromotoluene was tested for mutagenicity in the Salmonella/microsome preincubation assay using a protocol approved by the National Toxicology Program. A wide range of doses (0, 100, 333, 1000, 3333, and 10,000 ug/plate) was tested in four Salmonella typhimurium strains (TA98, TA100, TA1535, and TA1537) in the presence and absence of Aroclor-induced rat or hamster liver S9. These tests were negative and the highest ineffective dose level tested (not causing the formation of a precipitate) in any Salmonella tester strain was 100 ug/plate. |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3077 9/PG III |
| Zollcode | 29033919 |
| RTECS-Nr. | DA6639500 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-37/39 |
| Gefahrenklasse | 9Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrstoffdaten | 87-83-2(Hazardous Substances Data) |
Anwendungen & Verwendung
Verwenden
2,3,4,5,6-Pentabromotoluene is a brominated flame retardant. It is considered as an air pollutant.