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2-Brom-5-chlortoluol
2-BROMO-5-CHLOROTOLUENE · 2-Bromo-5-chL · 1-Bromo-4-chloro-2-m · Bromo-5-chlorotoluene · 6-BROMO-3-CHLOROTOLUENE · 5-CHLORO-2-BROMOTOLUENE · 2-Bromo-5-Chlorotolune98% · Toluene, 2-bromo-5-chloro-
Identifikatoren & physikalische Daten
| CAS No. | 14495-51-3 |
|---|---|
| Summenformel | C7H6BrCl |
| Durchschnittliche Molmasse | 205,48 g/mol |
| Monoisotopische Masse | 203,93413997 g/mol |
| SMILES | Cc1cc(Cl)ccc1Br |
| InChIKey | RTIPTGMVQIIMKL-UHFFFAOYSA-N |
| PubChem CID | 84476 |
| EC No. | 238-503-4 |
| DTXSID | DTXSID90162848 |
| Lokaler Name | 2-Brom-5-chlortoluol |
Chemische & physikalische Eigenschaften
| XLogP | 3,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 94,9 |
| SpringerMaterials Properties | Nuclear quadrupole resonance spectroscopy |
| Siedepunkt | 98-100 °C (25 mmHg) |
| Dichte | 1.543 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.575(lit.) |
| Flammpunkt | 204 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Light yellow to Light orange |
| Löslichkeit | INSOLUBLE |
| BRN | 2500157 |
| InChI | InChI=1S/C7H6BrCl/c1-5-4-6(9)2-3-7(5)8/h2-4H,1H3 |
| InChIKey | RTIPTGMVQIIMKL-UHFFFAOYSA-N |
| SMILES | C1(Br)=CC=C(Cl)C=C1C |
| CAS Datenbank | 14495-51-3(CAS DataBase Reference) |
| NIST chemische Informationen | Benzene, 1-bromo-4-chloro-2-methyl-(14495-51-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): 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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29039990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36-37/39 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
2-Bromo-5-chlorotoluene has been used in the preparation of 4-chloro-2-methylbenzophenone.