HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 820608Erstellt: 3. November 2026
(1S,2S)-2-Bromo-2,3-dihydro-1H-inden-1-ol
trans-2-Bromo-1-indanol · TRANS-2-BROMO-1-HYDROXYINDANE · trans-2-BroMo-2,3-dihydro-1H-inden-1-ol · (1R,2R)-2-bromo-2,3-dihydro-1h-inden-1-ol · 1H-Inden-1-ol, 2-bromo-2,3-dihydro-, (1R,2R)-rel-
https://huagongshe.com/de/chemical/820608
Identifikatoren & physikalische Daten
| CAS No. | 10368-44-2 |
|---|
| Summenformel | C9H9BrO |
|---|
| Durchschnittliche Molmasse | 213,07 g/mol |
|---|
| Monoisotopische Masse | 211,98368 g/mol |
|---|
| SMILES | O[C@H]1c2ccccc2C[C@@H]1Br |
|---|
| InChIKey | RTESDSDXFLYAKZ-IUCAKERBSA-N |
|---|
| PubChem CID | 820608 |
|---|
| EC No. | 822-634-4 |
|---|
| DTXSID | DTXSID20908554 |
|---|
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 |
|---|
| Schmelzpunkt | 130-131 °C(lit.) |
|---|
| Siedepunkt | 318.3±42.0 °C(Predicted) |
|---|
| Dichte | 1.640±0.06 g/cm3(Predicted) |
|---|
| Lagerbedingungen | 2-8°C |
|---|
| Aggregatzustand | crystals |
|---|
| pKa (Säurekonstante) | 13.19±0.40(Predicted) |
|---|
| InChI | 1S/C9H9BrO/c10-8-5-6-3-1-2-4-7(6)9(8)11/h1-4,8-9,11H,5H2/t8-,9-/m0/s1 |
|---|
| InChIKey | RTESDSDXFLYAKZ-IUCAKERBSA-N |
|---|
| SMILES | O[C@@H]1[C@@H](Br)Cc2ccccc12 |
|---|
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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
|---|
| Wassergefährdungsklasse (WGK) | 3 |
|---|
| Zollcode | 29062990 |
|---|
| Sicherheitshinweise (S) | 24/25 |
|---|
| Lagerklasse | 11 - Combustible Solids |
|---|