HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 185352Erstellt: 26. Oktober 2026
2-Bromo-5-(5-thiophen-2-ylthiophen-2-yl)thiophene
5-Bromo-2,2':5',2''-terthiophene · 2-Bromoterthiophene · 5-Bromo-α-terthienyl · 5-Bromo-2,2′:5′,2′′-terthiophene · 2-Bromo-5,2′:5′,2′′-terthiophene · 2,2':5',2''-Terthiophene, 5-bromo- · 2-BROMO-5-(5-THIOPHEN-2-YLTHIOPHEN-2-YL)THIOPHENE
https://huagongshe.com/de/chemical/185352
Identifikatoren & physikalische Daten
| CAS No. | 94581-95-0 |
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| Summenformel | C12H7BrS3 |
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| Durchschnittliche Molmasse | 327,3 g/mol |
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| Monoisotopische Masse | 325,88932532 g/mol |
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| SMILES | Brc1ccc(-c2ccc(-c3cccs3)s2)s1 |
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| InChIKey | HNMURGGRBMOMLO-UHFFFAOYSA-N |
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| PubChem CID | 185352 |
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| EC No. | 804-612-6 |
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| DTXSID | DTXSID70915435 |
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Chemische & physikalische Eigenschaften
| XLogP | 5,4 |
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| Polarare Oberfläche (TPSA) | 84,7 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 16 |
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| Formalladung | 0 |
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| Komplexität | 248 |
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| Schmelzpunkt | 135-138°C |
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| Siedepunkt | 389.9±37.0 °C(Predicted) |
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| Dichte | 1.599±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | Storage temp. 2-8°C |
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| Aggregatzustand | solid |
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| InChI | 1S/C12H7BrS3/c13-12-6-5-11(16-12)10-4-3-9(15-10)8-2-1-7-14-8/h1-7H |
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| InChIKey | HNMURGGRBMOMLO-UHFFFAOYSA-N |
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| SMILES | Brc1ccc(s1)-c2ccc(s2)-c3cccs3 |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 2 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 (100%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| UN-Transportnummer | UN 2811 6.1 / PGIII |
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| R-Sätze (R) | 25-37/38-41 |
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| Gefahrensymbole | T |
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| Sicherheitshinweise (S) | 26-39-45 |
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| Lagerklasse | 6.1D - Non-combustible acute toxic Cat.3toxic hazardous materials or hazardous materials causing chronic effects |
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| Gefahrenklasse | Acute Tox. 3 OralEye Dam. 1Skin Irrit. 2STOT SE 3 |
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