HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-Brom-4-chlorbenzol
1-BROMO-4-CHLOROBENZENE · P-CHLOROBROMOBENZENE · 1,4-BROMOCHLOROBENZENE · 4-Chloro-1-bromobenzene · 4-BromochL · 4-BroMochlor · BroMo-chloro- · 4-Bromchlorbenzol
Identifikatoren & physikalische Daten
| CAS No. | 106-39-8 |
|---|---|
| Summenformel | C6H4BrCl |
| Durchschnittliche Molmasse | 191,45 g/mol |
| Monoisotopische Masse | 189,91848991 g/mol |
| SMILES | Clc1ccc(Br)cc1 |
| InChIKey | NHDODQWIKUYWMW-UHFFFAOYSA-N |
| PubChem CID | 7806 |
| EC No. | 203-392-3 |
| DTXSID | DTXSID4059338 |
| Lokaler Name | 1-Brom-4-chlorbenzol |
Chemische & physikalische Eigenschaften
| XLogP | 3,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 66,9 |
| Stoffklassen | Other Classes -> Halogenated Monoaromatics |
| SpringerMaterials Properties | Boiling point |
| Dichte | 1.576 @ 71°C1.651 |
| Siedepunkt | 196 °C @760 [mm Hg]196 °C(lit.) |
| Schmelzpunkt | 68 °C64-67 °C(lit.) |
| Dampfdruck | 0.25 [mmHg] |
| Physical Description | Beige crystalline solid[Sigma-Aldrich MSDS] |
| Brechungsindex | 1,496-1,498 |
| Flammpunkt | 196°C |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | 0.045g/linsoluble |
| Aggregatzustand | Crystalline Powder |
| Farbe | White to almost white |
| BRN | 1099014 |
| Henry-Konstante | 6.8×10-3 mol/(m3Pa) at 25℃, Duchowicz et al. (2020) |
| InChI | 1S/C6H4BrCl/c7-5-1-3-6(8)4-2-5/h1-4H |
| InChIKey | NHDODQWIKUYWMW-UHFFFAOYSA-N |
| SMILES | Clc1ccc(Br)cc1 |
| CAS Datenbank | 106-39-8(CAS DataBase Reference) |
| NIST chemische Informationen | 1-Bromo-4-chlorobenzene(106-39-8) |
| EPA chemische Informationen | p-Bromoclorobenzene (106-39-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (95.2%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 83 reports by companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Benzene, 1-bromo-4-chloro-Status: Active Update: 03-03-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/19203Benzene, 1-bromo-4-chloro-: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | A skin and strong eye irritant[Sigma-Aldrich MSDS] See p-Bromobenzyl bromide. |
| Hazard Classes and Categories | Skin Irrit. 2 (95.2%) |
| Protective Action Criteria (PAC) | 12 [mg/m3]130 [mg/m3]790 [mg/m3] |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 1230 3/PG 2 |
| Zollcode | 29036990 |
| RTECS-Nr. | CY9006000 |
| R-Sätze (R) | 36/37/38-20/22-39/23/24/25-23/24/25-11 |
| Gefahrensymbole | Xi,Xn,T,F |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36-37/39-37-45-36/37-16-7 |
| Gefahrenklasse | 6.1 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
1-Bromo-4-chlorobenzene is used as a pharmaceutical intermediate.