HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Bromthiophen
S0501 · DK938 · 3-Bromthiophen · β-bromothiophene · 3-bromo-thiophen · 3-BroMothiofuran · 3-Bromothiophene · b-Bromothiophene
Identifikatoren & physikalische Daten
| CAS No. | 872-31-1 |
|---|---|
| Summenformel | C4H3BrS |
| Durchschnittliche Molmasse | 163,04 g/mol |
| Monoisotopische Masse | 161,9138832 g/mol |
| SMILES | Brc1ccsc1 |
| InChIKey | XCMISAPCWHTVNG-UHFFFAOYSA-N |
| PubChem CID | 13383 |
| EC No. | 212-821-3 |
| DTXSID | DTXSID2022129 |
| Lokaler Name | 3-Bromthiophen |
Chemische & physikalische Eigenschaften
| XLogP | 2,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 28,2 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 6 |
| Formalladung | 0 |
| Komplexität | 46,8 |
| SpringerMaterials Properties | Coriolis coupling |
| LogP (Verteilungskoeffizient) | 2.59 |
| Schmelzpunkt | <-10°C |
| Siedepunkt | 150 °C (lit.) |
| Dichte | 1.74 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.591(lit.) |
| Flammpunkt | 140 °F |
| Lagerbedingungen | Keep in dark place,Sealed in dry,2-8°C |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly)IMMISCIBLE |
| Aggregatzustand | Liquid |
| Wichte | 1.740 |
| Farbe | Clear colorless to slightly yellow |
| BRN | 105338 |
| InChI | 1S/C4H3BrS/c5-4-1-2-6-3-4/h1-3H |
| InChIKey | XCMISAPCWHTVNG-UHFFFAOYSA-N |
| SMILES | Brc1ccsc1 |
| CAS Datenbank | 872-31-1(CAS DataBase Reference) |
| NIST chemische Informationen | Thiophene, 3-bromo-(872-31-1) |
| EPA chemische Informationen | 3-Bromothiophene (872-31-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH226 (95.7%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P332+P317, P333+P317, P337+P317, P361+P364, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 92 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | 3-Bromothiophene: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Flam. Liq. 3 (95.7%) |
| F | 8 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2929 6.1/PG 2 |
| Zollcode | 29349990 |
| R-Sätze (R) | 10-25-41-51/53-36/37/38-23/24/25-20/21/22-43-36/37 |
| Gefahrensymbole | T,Xi,N,Xn |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36/37/39-45-61-38-28A-16-24/25-23-36-36/37-24/35 |
| Gefahrenklasse | 6.1Acute Tox. 1 InhalationAcute Tox. 2 DermalAcute Tox. 3 OralAquatic Chronic 2Eye Irrit. 2Flam. Liq. 3Skin Sens. 1STOT SE 3 |
| Verpackungsgruppe | II |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
3-Bromothiophene is used in the preparation of derivatives such as thienylenic alpha, μ-diformyl-alpha-oligothiophenes and 3-lithiothiophene. It is also used in the synthesis of 3-lithiothiophene by reacting with n-butyllithium.