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1-(Brommethyl)-3-chlorbenzol
1-(bromomethyl)-3-chlorobenzene · orobenzyL · ChlorobenzylbroMide · 3-Chlorobenzyl bromi · M-CHLOROBENZYL BROMIDE · 3-CHLOROBENZYL BROMIDE · α-Bromo-m-chlorotoluene · m-Chloro-α-bromotoluene
Identifikatoren & physikalische Daten
| CAS No. | 766-80-3 |
|---|---|
| Summenformel | C7H6BrCl |
| Durchschnittliche Molmasse | 205,48 g/mol |
| Monoisotopische Masse | 203,93413997 g/mol |
| SMILES | Clc1cccc(CBr)c1 |
| InChIKey | LZIYAIRGDHSVED-UHFFFAOYSA-N |
| PubChem CID | 69838 |
| EC No. | 212-171-0 |
| DTXSID | DTXSID40227411 |
| Lokaler Name | 1-(Brommethyl)-3-chlorbenzol |
Chemische & physikalische Eigenschaften
| XLogP | 3,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 85 |
| Stoffklassen | Other Classes -> Halogenated Monoaromatics |
| Physical Description | Clear light brown liquid[Sigma-Aldrich MSDS] |
| Schmelzpunkt | 15 °C |
| Siedepunkt | 109-110 °C/12 mmHg (lit.) |
| Dichte | 1.565 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.588(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Inert atmosphere,2-8°C |
| Aggregatzustand | powder to lump to clear liquid |
| Farbe | White or Colorless to Yellow |
| Wichte | 1.565 |
| Löslichkeit | DECOMPOSES |
| BRN | 636504 |
| InChI | InChI=1S/C7H6BrCl/c8-5-6-2-1-3-7(9)4-6/h1-4H,5H2 |
| InChIKey | LZIYAIRGDHSVED-UHFFFAOYSA-N |
| SMILES | C1(CBr)=CC=CC(Cl)=C1 |
| CAS Datenbank | 766-80-3(CAS DataBase Reference) |
| NIST chemische Informationen | Benzene, 1-(bromomethyl)-3-chloro-(766-80-3) |
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 48 reports by companies from 4 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | 1-(Bromomethyl)-3-chlorobenzene: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | Causes burns and lachrymationInhalation may cause corrosive injuries to upper respiratory tract[Sigma-Aldrich MSDS] |
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| Unerwünschte Wirkungen | Dermatotoxin - Skin burns. |
| F | 19 |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3265 8/PG 2 |
| Zollcode | 29039990 |
| R-Sätze (R) | 34 |
| Gefahrensymbole | C |
| hazard_note | Corrosive/Lachrymatory |
| Sicherheitshinweise (S) | 26-36/37/39-45 |
| Gefahrenklasse | 6.1Skin Corr. 1B |
| Verpackungsgruppe | III |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
3-Chlorobenzyl bromide was used in the synthesis of symmetrical and unsymmetrical benzyl thioethers. It was used as starting reagent during the synthesis of 1-(3-chlorobenzyl)-2-(pyrrolidin-1-ylmethyl)-1H-benzimidazole dihydrochloride.