Identifikatoren & physikalische Daten
| CAS No. | 79465-06-8 |
|---|
| Summenformel | C9H9BrO |
|---|
| Durchschnittliche Molmasse | 213,07 g/mol |
|---|
| SMILES | O[C@@H]1c2ccccc2C[C@H]1Br |
|---|
| InChIKey | RTESDSDXFLYAKZ-RKDXNWHRSA-N |
|---|
| PubChem CID | 820607 |
|---|
| EC No. | 984-070-6 |
|---|
Chemische & physikalische Eigenschaften
| XLogP | 1,9 |
|---|
| Polarare Oberfläche (TPSA) | 20,2 |
|---|
| H-Brücken-Donoren | 1 |
|---|
| H-Brücken-Akzeptoren | 1 |
|---|
| Frei drehbare Bindungen | 0 |
|---|
| Schwere Atome | 11 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 148 |
|---|
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
|---|
