Identifikatoren & physikalische Daten
| CAS No. | 934241-94-8 |
|---|
| Summenformel | C8H7BrO3 |
|---|
| Durchschnittliche Molmasse | 231,04 g/mol |
|---|
| Monoisotopische Masse | 229,95786 g/mol |
|---|
| SMILES | O=C(O)Cc1cc(O)cc(Br)c1 |
|---|
| InChIKey | HEVGCOVCYZLVOV-UHFFFAOYSA-N |
|---|
| PubChem CID | 66734166 |
|---|
| EC No. | 818-713-8 |
|---|
Chemische & physikalische Eigenschaften
| XLogP | 1,7 |
|---|
| Polarare Oberfläche (TPSA) | 57,5 |
|---|
| H-Brücken-Donoren | 2 |
|---|
| H-Brücken-Akzeptoren | 3 |
|---|
| Frei drehbare Bindungen | 2 |
|---|
| Schwere Atome | 12 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 172 |
|---|
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]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%)Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%) |
|---|
