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3,4-Dibromthiophen
1,2,3,4-Tetra bromo thiophene · S0504 · TH-2Brb · AKOS 93381 · 4-DibroMothiophene · 3,4-Dibromothiphene · 3,4-DIBROMOTHIOPHENE · thiophene,3,4-dibromo-
Identifikatoren & physikalische Daten
| CAS No. | 3141-26-2 |
|---|---|
| Summenformel | C4H2Br2S |
| Durchschnittliche Molmasse | 241,93 g/mol |
| Monoisotopische Masse | 239,82439526 g/mol |
| SMILES | Brc1cscc1Br |
| InChIKey | VGKLVWTVCUDISO-UHFFFAOYSA-N |
| PubChem CID | 18452 |
| EC No. | 221-546-8 |
| DTXSID | DTXSID50185336 |
| Lokaler Name | 3,4-Dibromthiophen |
Chemische & physikalische Eigenschaften
| XLogP | 3 |
|---|---|
| Polarare Oberfläche (TPSA) | 28,2 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 58,7 |
| Stoffklassen | Other Classes -> Thiophenes |
| SpringerMaterials Properties | Boiling point |
| Dampfdruck | 0.12 [mmHg] |
| Physical Description | Colorless liquidmp = 4-5 deg C[Alfa Aesar MSDS] |
| Schmelzpunkt | 4-5 °C (lit.) |
| Siedepunkt | 221-222 °C (lit.) |
| Dichte | 2.188 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.640(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless to yellow |
| Wichte | 2.188 |
| BRN | 107642 |
| InChI | InChI=1S/C4H2Br2S/c5-3-1-7-2-4(3)6/h1-2H |
| InChIKey | VGKLVWTVCUDISO-UHFFFAOYSA-N |
| SMILES | C1SC=C(Br)C=1Br |
| CAS Datenbank | 3141-26-2(CAS DataBase Reference) |
| NIST chemische Informationen | Thiophene, 3,4-dibromo-(3141-26-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (98%): 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)Aggregated GHS information provided per 49 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Gefahrenübersicht | A skin and strong eye irritant[Alfa Aesar MSDS] See Thiophene. |
| Hazard Classes and Categories | Skin Irrit. 2 (98%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29349990 |
| R-Sätze (R) | 36/37/38-20/21/22 |
| Gefahrensymbole | Xi,Xn |
| Sicherheitshinweise (S) | 26-36-36/37/39 |
| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
3,4-Dibromothiophene was used in the preparation of thieno[3,4-b]thiophene. It was aslo used as starting material in the synthesis of alkyl substituted, fused thiophenes.