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4,4'-Isopropylidenbis(2-(2,6-dibromphenoxy)ethanol)
TETRABROMOBISPHENOL A BIS(2-HYDROXYETHYL) ETHER · BA 50 · AFR 1011 · Fire Guard 3600 · LABOTEST-BB LT00159661 · ETHOXYLATEDTETRABROMOBISPHENOLA · TBBPA bis(2-hydroxyethyl ether) · tetrabromobisphenol-a-bisethoxylate
Identifikatoren & physikalische Daten
| CAS No. | 4162-45-2 |
|---|---|
| Summenformel | C19H20Br4O4 |
| Durchschnittliche Molmasse | 632 g/mol |
| Monoisotopische Masse | 627,80951 g/mol |
| SMILES | CC(C)(c1cc(Br)c(OCCO)c(Br)c1)c1cc(Br)c(OCCO)c(Br)c1 |
| InChIKey | RVHUMFJSCJBNGS-UHFFFAOYSA-N |
| PubChem CID | 20113 |
| ChEMBL | CHEMBL216852 |
| EC No. | 224-005-4 |
| DTXSID | DTXSID4038922 |
| Lokaler Name | 4,4'-Isopropylidenbis(2-(2,6-dibromphenoxy)ethanol) |
Chemische & physikalische Eigenschaften
| XLogP | 6,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 58,9 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 8 |
| Schwere Atome | 27 |
| Formalladung | 0 |
| Komplexität | 391 |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Schmelzpunkt | 107 °C(lit.) |
| Siedepunkt | 582.1±50.0 °C(Predicted) |
| Dichte | 1.8110 (rough estimate) |
| Brechungsindex | 1.5000 (estimate) |
| Lagerbedingungen | Hygroscopic, Refrigerator, under inert atmosphere |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly) |
| pKa (Säurekonstante) | 13.76±0.10(Predicted) |
| Aggregatzustand | Solid |
| Farbe | White to Off-White |
| Henry-Konstante | 5.6×107 mol/(m3Pa) at 25℃, Zhang et al. (2010) |
| Stabilität | Hygroscopic |
| InChI | 1S/C19H20Br4O4/c1-19(2,11-7-13(20)17(14(21)8-11)26-5-3-24)12-9-15(22)18(16(23)10-12)27-6-4-25/h7-10,24-25H,3-6H2,1-2H3 |
| InChIKey | RVHUMFJSCJBNGS-UHFFFAOYSA-N |
| SMILES | CC(C)(c1cc(Br)c(OCCO)c(Br)c1)c2cc(Br)c(OCCO)c(Br)c2 |
| CAS Datenbank | 4162-45-2(CAS DataBase Reference) |
| EPA chemische Informationen | Tetrabromobisphenol A bis(2-hydroxyethyl) ether (4162-45-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 2.2% (1 of 45) of reports.WarningH315 (97.8%): 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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Not Classified |
|---|---|
| Regulatorische Informationen | Chemical: Ethanol, 2,2'-[(1-methylethylidene)bis[(2,6-dibromo-4,1-phenylene)oxy]]bis-Hazard Traits - CarcinogenicityEndocrine ToxicityT - indicates a substance that is the subject of a final TSCA section 4 test rule. |
| Hazard Classes and Categories | Skin Irrit. 2 (97.8%)Hazardous to the aquatic environment (Acute) - Category 1 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | 3152 |
| Zollcode | 29094990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-37/39 |
| Gefahrenklasse | 9Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | II |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
4,4''-Isopropylidenebis[2-(2,6-dibromophenoxy)ethanol] is a brominated flame retardant.