HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
α-2-Dibromtoluol
1-Bromo-2-(bromomethyl)benzene · ,2-Dibromotoluene · à,2-dibromotoluene · α,o-Dibromotoluene · A,O-DIBROMOTOLUENE · methyl brombromide · O-BROMOBENZYL BROMIDE · 2-BROMOBENZYL BROMIDE
Identifikatoren & physikalische Daten
| CAS No. | 3433-80-5 |
|---|---|
| Summenformel | C7H6Br2 |
| Durchschnittliche Molmasse | 249,93 g/mol |
| Monoisotopische Masse | 247,88362439 g/mol |
| SMILES | BrCc1ccccc1Br |
| InChIKey | LZSYGJNFCREHMD-UHFFFAOYSA-N |
| PubChem CID | 76965 |
| EC No. | 222-334-8 |
| DTXSID | DTXSID0063022 |
| Lokaler Name | α-2-Dibromtoluol |
Chemische & physikalische Eigenschaften
| XLogP | 3,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 83 |
| Stoffklassen | Other Classes -> Halogenated Monoaromatics |
| SpringerMaterials Properties | Nuclear quadrupole resonance spectroscopy |
| Physical Description | White to light yellow solidmp = 29-32 deg C[Alfa Aesar MSDS] |
| Schmelzpunkt | 29-32 °C (lit.) |
| Siedepunkt | 129 °C/19 mmHg (lit.) |
| Dichte | 1.8246 (rough estimate) |
| Brechungsindex | n20/D 1.619(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | dioxane: soluble1g/10 mL, clear, colorlessInsoluble in water. |
| Aggregatzustand | Liquid After Melting |
| Farbe | Clear colorless to yellow |
| BRN | 971015 |
| InChI | InChI=1S/C7H6Br2/c8-5-6-3-1-2-4-7(6)9/h1-4H,5H2 |
| InChIKey | LZSYGJNFCREHMD-UHFFFAOYSA-N |
| SMILES | C1(Br)=CC=CC=C1CBr |
| CAS Datenbank | 3433-80-5(CAS DataBase Reference) |
| NIST chemische Informationen | Benzene, 1-bromo-2-(bromomethyl)-(3433-80-5) |
| EPA chemische Informationen | 2-Bromobenzyl bromide (3433-80-5) |
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 49 reports by companies from 5 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | 2-Bromobenzyl bromide: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | Causes burns and lachrymation[Alfa Aesar MSDS] |
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| Unerwünschte Wirkungen | Dermatotoxin - Skin burns. |
| F | 8-19 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3261 8/PG 3 |
| Zollcode | 29036990 |
| R-Sätze (R) | 34-37-23 |
| Gefahrensymbole | C,T |
| Sicherheitshinweise (S) | 26-36/37/39-45-22 |
| Gefahrenklasse | 8Eye Dam. 1Skin Corr. 1B |
| Verpackungsgruppe | III |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
2-Bromobenzyl bromide was used in the synthesis of substituted quinazolines and 1,2,3,4-tetrahydroquinazolines, 2- and 3-substituted indenes, tris-2-bromotribenzylamine3.