HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
α-3-Dibromtoluol
m-Bromobenzyl · 3-BromobenzyL · α,3-dibromotoluene · à,3-dibromotoluene · 3-Bromoben bromide · 3-BroMobenl broMide · 3-Brombenzyl bromide · 3-Bromobenzyl bromid
Identifikatoren & physikalische Daten
| CAS No. | 823-78-9 |
|---|---|
| Summenformel | C7H6Br2 |
| Durchschnittliche Molmasse | 249,93 g/mol |
| Monoisotopische Masse | 247,88362439 g/mol |
| SMILES | BrCc1cccc(Br)c1 |
| InChIKey | ZPCJPJQUVRIILS-UHFFFAOYSA-N |
| PubChem CID | 69979 |
| EC No. | 212-519-1 |
| DTXSID | DTXSID4061175 |
| Lokaler Name | α-3-Dibromtoluol |
Chemische & physikalische Eigenschaften
| XLogP | 3,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 83 |
| SpringerMaterials Properties | Nuclear quadrupole resonance spectroscopy |
| Schmelzpunkt | 39-41 °C(lit.) |
| Siedepunkt | 130 °C12 mm Hg |
| Dichte | 1,56 g/cm3 |
| Brechungsindex | 1.6066 (estimate) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,2-8°C |
| Löslichkeit | Chloroform (Sparingly), Methanol (Slightly)Insoluble in water. |
| Aggregatzustand | Adhering Crystals or Crystalline Powder |
| Farbe | White |
| BRN | 2078683 |
| InChI | InChI=1S/C7H6Br2/c8-5-6-2-1-3-7(9)4-6/h1-4H,5H2 |
| InChIKey | ZPCJPJQUVRIILS-UHFFFAOYSA-N |
| SMILES | C1(Br)=CC=CC(CBr)=C1 |
| CAS Datenbank | 823-78-9(CAS DataBase Reference) |
| EPA chemische Informationen | Benzene, 1-bromo-3-(bromomethyl)- (823-78-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 50 reports by companies from 5 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | 3-Bromobenzyl bromide: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| F | 19 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3261 8/PG 2 |
| Zollcode | 29036990 |
| R-Sätze (R) | 34-37 |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 26-36/37/39-45-25 |
| Gefahrenklasse | 8Skin Corr. 1B |
| Verpackungsgruppe | III |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
3-Bromobenzyl bromide was used in the synthesis of, 1,7-di(3-bromobenzyl)cyclen and substituted 8-arylquinoline, phosphodiesterase 4 (PDE4) inhibitors.