HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-Brom-4-(chlormethyl)benzol
1-Bromo-4-(chloromethyl)benzene · P-BROMOBENZYL CHLORIDE · 4-BROMOBENZYL CHLORIDE · 4-bromo-à-chlorotoluene · 4-Bromo-α-chlorotoluene · α-Chloro-4-bromotoluene · 4-Bromobenzylchloride,97% · 4-Bromobenzyl chloride,98%
Identifikatoren & physikalische Daten
| CAS No. | 589-17-3 |
|---|---|
| Summenformel | C7H6BrCl |
| Durchschnittliche Molmasse | 205,48 g/mol |
| Monoisotopische Masse | 203,93413997 g/mol |
| SMILES | ClCc1ccc(Br)cc1 |
| InChIKey | BSIIGUGKOPPTPZ-UHFFFAOYSA-N |
| PubChem CID | 68528 |
| EC No. | 209-638-6 |
| DTXSID | DTXSID20207630 |
| Lokaler Name | 1-Brom-4-(chlormethyl)benzol |
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 | 77 |
| SpringerMaterials Properties | Density |
| Schmelzpunkt | 36-40 °C |
| Siedepunkt | 136-139 °C (27 mmHg) |
| Dichte | 1.3431 (rough estimate) |
| Brechungsindex | 1.5750 (estimate) |
| Flammpunkt | 106-107°C/10mm |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
| Aggregatzustand | Powder and Granules |
| Farbe | White |
| Löslichkeit | Insoluble in water. |
| Merck | 14,1410 |
| BRN | 6123220 |
| InChI | InChI=1S/C7H6BrCl/c8-7-3-1-6(5-9)2-4-7/h1-4H,5H2 |
| InChIKey | BSIIGUGKOPPTPZ-UHFFFAOYSA-N |
| SMILES | C1(Br)=CC=C(CCl)C=C1 |
| CAS Datenbank | 589-17-3(CAS DataBase Reference) |
| NIST chemische Informationen | Benzene, 1-bromo-4-(chloromethyl)-(589-17-3) |
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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Benzene, 1-bromo-4-(chloromethyl)-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 3261 |
| Zollcode | 29039990 |
| R-Sätze (R) | 36/37-34 |
| Gefahrensymbole | C |
| hazard_note | Corrosive/Lachrymator |
| Sicherheitshinweise (S) | 45-36/37/39-25-26 |
| Gefahrenklasse | 8Skin Corr. 1B |
| Verpackungsgruppe | III |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
4-Bromobenzyl chloride is an important raw material and intermediate used in organic synthesis, pharmaceuticals and agrochemicals.