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2-Brom-5-chlorthiophen
2-BROMO-5-CHLOROTHIO · Rivaroxaban Impurity 123 · α-Bromo-α-chlorothiophene · 2-Bromo-5-chlorothiophene · 2-CHLORO-5-BROMO THIOPHENE · Thiophene,2-bromo-5-chloro- · Thiophene, 2-bromo-5-chloro- · 2-Bromo-5-chlorothiophene 98%
Identifikatoren & physikalische Daten
| CAS No. | 2873-18-9 |
|---|---|
| Summenformel | C4H2BrClS |
| Durchschnittliche Molmasse | 197,48 g/mol |
| Monoisotopische Masse | 195,87491084 g/mol |
| SMILES | Clc1ccc(Br)s1 |
| InChIKey | ZFAJPWYXLYGUJU-UHFFFAOYSA-N |
| PubChem CID | 76133 |
| EC No. | 220-708-5 |
| DTXSID | DTXSID70182887 |
| Lokaler Name | 2-Brom-5-chlorthiophen |
Chemische & physikalische Eigenschaften
| XLogP | 3,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 28,2 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 68,7 |
| Stoffklassen | Other Classes -> Thiophenes |
| SpringerMaterials Properties | Nuclear quadrupole resonance spectroscopy |
| Physical Description | Clear light yellow or pink-orange liquid[Acros Organics MSDS] |
| Schmelzpunkt | -20°C |
| Siedepunkt | 69-70 °C/18 mmHg (lit.) |
| Dichte | 1.803 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.596(lit.) |
| Flammpunkt | 185 °F |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2–8 °C |
| Aggregatzustand | liquid |
| Wichte | 1.803 |
| Farbe | Light yellow to Brown |
| BRN | 109897 |
| InChI | 1S/C4H2BrClS/c5-3-1-2-4(6)7-3/h1-2H |
| InChIKey | ZFAJPWYXLYGUJU-UHFFFAOYSA-N |
| SMILES | Clc1ccc(Br)s1 |
| CAS Datenbank | 2873-18-9(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (83.3%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Gefahrenübersicht | May cause irritation[Acros Organics MSDS] See Thiophene. |
| Hazard Classes and Categories | Acute Tox. 4 (83.3%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | NA 1993 / PGIII |
| Zollcode | 29349990 |
| R-Sätze (R) | 20/21/22-36/37/38 |
| Gefahrensymbole | Xn |
| hazard_note | Harmful |
| Sicherheitshinweise (S) | 26-36-24/25 |
| Gefahrenklasse | 6.1 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
2-Bromo-5-chlorothiophene was used in the synthesis of monomer of 1,4-bis(5-chlorothiophene)-buta-1,3-diyne and 5-chloro-2-[(trimethylsilyl)-ethynyl]thiophene.