HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
α,α'-Dibrom-m-xylol
m-Xylene dibromide · M-XYLYLENE BROMIDE · a,a'-Dibromo-m-xylene · JACS-626-15-3 · M-Bezyl DibroMide · M-Benzyl DibroMide · Xylenedibromide,97% · M-XYLYENE DIBROMIDE
Identifikatoren & physikalische Daten
| CAS No. | 626-15-3 |
|---|---|
| Summenformel | C8H8Br2 |
| Durchschnittliche Molmasse | 263,96 g/mol |
| Monoisotopische Masse | 261,89927446 g/mol |
| SMILES | BrCc1cccc(CBr)c1 |
| InChIKey | OXHOPZLBSSTTBU-UHFFFAOYSA-N |
| PubChem CID | 69373 |
| EC No. | 210-931-6 |
| DTXSID | DTXSID9060813 |
| Lokaler Name | α,α'-Dibrom-m-xylol |
Chemische & physikalische Eigenschaften
| XLogP | 3,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 83,3 |
| SpringerMaterials Properties | Fusion temperature |
| Schmelzpunkt | 74-77 °C(lit.) |
| Siedepunkt | 135-140 °C20 mm Hg(lit.) |
| Dichte | 1.9590 |
| Brechungsindex | 1.6113 (estimate) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | dioxane: 0.1 g/mL, clear, colorlessInsoluble in water. |
| Aggregatzustand | Crystalline Powder and Chunks |
| Farbe | White to brown |
| BRN | 971085 |
| InChI | InChI=1S/C8H8Br2/c9-5-7-2-1-3-8(4-7)6-10/h1-4H,5-6H2 |
| InChIKey | OXHOPZLBSSTTBU-UHFFFAOYSA-N |
| SMILES | C1(CBr)=CC=CC(CBr)=C1 |
| CAS Datenbank | 626-15-3(CAS DataBase Reference) |
| NIST chemische Informationen | Benzene, 1,3-bis(bromomethyl)-(626-15-3) |
| EPA chemische Informationen | 1,3-Bis(bromomethyl)benzene (626-15-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (16.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P233, P260, P261, P264, P264+P265, P271, P280, P284, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P342+P316, P362+P364, P363, P403, 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 | 1,3-Bis(bromomethyl)-benzene: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Corr. 1B (16.7%) |
| F | 8-19-21 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3448 6.1/PG 2 |
| Zollcode | 29036990 |
| R-Sätze (R) | 36/37/38-43 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36/37 |
| Gefahrenklasse | 8Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials |
Anwendungen & Verwendung
Verwenden
1,3-Bis(bromomethyl)benzene has been used in preparation of four novel dinuclear half-titanocenes with meta - and ortho xylene bridges as new metallocenes 1 . It was used in the synthesis of dissymmetrical bis -macrocyclic salt 2 .