HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Brom-o-xylol
1-BROMO-2,3-DIMETHYLBENZENE · 3-BROMO-1,2-DIMETHYLBENZENE · 3-Brom-o-xylol · 3-BROMO-O-XYLENE · 3-Bromo-1-xylene · 3-Bromoxylene,99% · 3-Bromo-1，2-xylene · 3-Bromoxylene, 99%
Identifikatoren & physikalische Daten
| CAS No. | 576-23-8 |
|---|---|
| Summenformel | C8H9Br |
| Durchschnittliche Molmasse | 185,06 g/mol |
| Monoisotopische Masse | 183,98876 g/mol |
| SMILES | Cc1cccc(Br)c1C |
| InChIKey | WLPXNBYWDDYJTN-UHFFFAOYSA-N |
| PubChem CID | 68472 |
| EC No. | 209-398-2 |
| DTXSID | DTXSID90206231 |
| Lokaler Name | 3-Brom-o-xylol |
Chemische & physikalische Eigenschaften
| XLogP | 3,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 90 |
| Schmelzpunkt | -20.49°C (estimate) |
| Siedepunkt | 214 °C(lit.) |
| Dichte | 1.365 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.560(lit.) |
| Flammpunkt | 177 °F |
| Lagerbedingungen | Store below +30°C. |
| Löslichkeit | soluble in Chloroform, DMSO, MethanolNot miscible or difficult to mix in water. |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless |
| Wichte | 1.365 |
| BRN | 2077312 |
| InChI | 1S/C8H9Br/c1-6-4-3-5-8(9)7(6)2/h3-5H,1-2H3 |
| InChIKey | WLPXNBYWDDYJTN-UHFFFAOYSA-N |
| SMILES | Cc1cccc(Br)c1C |
| CAS Datenbank | 576-23-8(CAS DataBase Reference) |
| NIST chemische Informationen | Benzene, 1-bromo-2,3-dimethyl-(576-23-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (98.1%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (92.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract 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 53 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 24-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22533 |
| Hazard Classes and Categories | Skin Irrit. 2 (98.1%)Eye Irrit. 2A (100%)STOT SE 3 (92.5%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 2810 6.1/PG 3 |
| Zollcode | 29039990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36/37/39-24/25 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
3-Bromo-o-xylene is an important raw material and intermediate used in organic synthesis, pharmaceuticals and agrochemicals.