HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 80598Erstellt: 26. Oktober 2026
2-Bromobenzenethiol
2-BROMOBENZENETHIOL · o-Bromothiophenol · 2-Bromothiophenol · O-BROMOBENZENETHIOL · 2-bromo-benzenethio · 2-Bromo Thiophenole · 2-Bromothiophenol97% · 2-Bromothiophenol 97%
https://huagongshe.com/de/chemical/80598
Identifikatoren & physikalische Daten
| CAS No. | 6320-02-1 |
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| Summenformel | C6H5BrS |
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| Durchschnittliche Molmasse | 189,07 g/mol |
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| Monoisotopische Masse | 187,92953326 g/mol |
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| SMILES | Sc1ccccc1Br |
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| InChIKey | YUQUNWNSQDULTI-UHFFFAOYSA-N |
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| PubChem CID | 80598 |
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| ChEMBL | CHEMBL119957 |
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| EC No. | 228-665-4 |
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| DTXSID | DTXSID3064229 |
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Chemische & physikalische Eigenschaften
| XLogP | 2,8 |
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| Polarare Oberfläche (TPSA) | 1 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 1 |
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| Frei drehbare Bindungen | 0 |
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| Schwere Atome | 8 |
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| Formalladung | 0 |
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| Komplexität | 74,9 |
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| SpringerMaterials Properties | Diamagnetic susceptibility |
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| Schmelzpunkt | 220-222 °C(Solv: isopropanol (67-63-0)) |
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| Siedepunkt | 128-130 °C/25 mmHg (lit.) |
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| Dichte | 1.573 g/mL at 25 °C (lit.) |
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| Brechungsindex | n20/D 1.635(lit.) |
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| Flammpunkt | >230 °F |
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| Lagerbedingungen | Keep in dark place,Inert atmosphere,2-8°C |
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| Aggregatzustand | Liquid |
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| pKa (Säurekonstante) | 5.90±0.43(Predicted) |
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| Wichte | 1.573 |
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| Farbe | colorless to very deep yellow |
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| BRN | 2039769 |
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| InChI | 1S/C6H5BrS/c7-5-3-1-2-4-6(5)8/h1-4,8H |
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| InChIKey | YUQUNWNSQDULTI-UHFFFAOYSA-N |
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| SMILES | Sc1ccccc1Br |
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| CAS Datenbank | 6320-02-1(CAS DataBase Reference) |
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| NIST chemische Informationen | 2-Bromothiophenol(6320-02-1) |
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| EPA chemische Informationen | Benzenethiol, 2-bromo- (6320-02-1) |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (14.9%): Toxic if swallowed [Danger Acute toxicity, oral]P260, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Acute Tox. 3 (14.9%) |
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| F | 10-13-23 |
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| Wassergefährdungsklasse (WGK) | 3 |
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| TSCA-Inventar-Status | TSCA listed |
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| UN-Transportnummer | UN2922 |
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| Zollcode | 29309070 |
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| R-Sätze (R) | 36/37/38 |
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| Gefahrensymbole | Xi |
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| hazard_note | Irritant/Stench |
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| Sicherheitshinweise (S) | 26-36-7/9 |
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| Gefahrenklasse | 8Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
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| Verpackungsgruppe | III |
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| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
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