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α-Brom-2,6-dichlortoluol
2-(BROMOMETHYL)-1,3-DICHLOROBENZENE · Vilanterol Impurity 32 · 6-Dichlorobenzyl broMide · 2,6-Didhlorobenzylbromide · 2,6-DICHLOROBENZYL BROMIDE · à-bromo-2,6-dichlorotoluene · A-BROMO-2,6-DICHLOROTOLUENE · α-Bromo-2,6-dichlorotoluene
Identifikatoren & physikalische Daten
| CAS No. | 20443-98-5 |
|---|---|
| Summenformel | C7H5BrCl2 |
| Durchschnittliche Molmasse | 239,92 g/mol |
| Monoisotopische Masse | 237,89516762 g/mol |
| SMILES | Clc1cccc(Cl)c1CBr |
| InChIKey | PDFGFQUSSYSWNI-UHFFFAOYSA-N |
| PubChem CID | 30159 |
| EC No. | 243-827-4 |
| DTXSID | DTXSID60174392 |
| Lokaler Name | α-Brom-2,6-dichlortoluol |
Chemische & physikalische Eigenschaften
| XLogP | 3,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 97,8 |
| Stoffklassen | Other Classes -> Halogenated Monoaromatics |
| Physical Description | White crystals with a pungent odor[Alfa Aesar MSDS] |
| Schmelzpunkt | 54-56 °C(lit.) |
| Siedepunkt | >110°C |
| Dichte | 1.5832 (rough estimate) |
| Brechungsindex | 1.5700 (estimate) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | methanol: 0.1 g/mL, clear |
| Aggregatzustand | Crystals or Crystalline Powder |
| Farbe | Colorless to white |
| BRN | 637351 |
| InChI | InChI=1S/C7H5BrCl2/c8-4-5-6(9)2-1-3-7(5)10/h1-3H,4H2 |
| InChIKey | PDFGFQUSSYSWNI-UHFFFAOYSA-N |
| SMILES | C1(Cl)=CC=CC(Cl)=C1CBr |
| CAS Datenbank | 20443-98-5(CAS DataBase Reference) |
| NIST chemische Informationen | Benzene, 2-(bromomethyl)-1,3-dichloro-(20443-98-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Benzene, 2-(bromomethyl)-1,3-dichloro-: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | Intravenous LD50 (mouse) = 75 mg/kg[RTECS] Causes burns and lachrymationInhalation may cause corrosive injuries to upper respiratory tract and lungs[Alfa Aesar MSDS] |
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| Unerwünschte Wirkungen | Dermatotoxin - Skin burns. |
| F | 19 |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3261 8/PG 2 |
| Zollcode | 29039990 |
| RTECS-Nr. | XS7966000 |
| R-Sätze (R) | 34-36/37-36 |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 22-26-27-28-36/37/39-45-25 |
| Gefahrenklasse | 8Eye Dam. 1Skin Corr. 1BSTOT SE 3 |
| Verpackungsgruppe | II |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
2,6-Dichlorobenzyl Bromide is used in the preparation of potent epoxide hydrolase inhibitors. Has shown thus far to relieve hypotension in lipopolysaccharide deficient murine models. As well they have been used in the synthesis of anti-HIV drugs based on diaryltriazine (DATA) analogues.