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2,5-Dichlorthiophen
Metomidine base · DICHLOROTHIOPHENE · 2,5-diclorothiophene · 2,5-dichloro-thiophen · 2,6-DICHLOROTHIOPHENE · 2,5-DICHLOROTHIOPHENE · 2, 5-dichlorthiophene · 2,5-Dichlorothiophenene
Identifikatoren & physikalische Daten
| CAS No. | 3172-52-9 |
|---|---|
| Summenformel | C4H2Cl2S |
| Durchschnittliche Molmasse | 153,03 g/mol |
| Monoisotopische Masse | 151,9254266 g/mol |
| SMILES | Clc1ccc(Cl)s1 |
| InChIKey | FGYBDASKYMSNCX-UHFFFAOYSA-N |
| PubChem CID | 18501 |
| EC No. | 221-638-8 |
| DTXSID | DTXSID6062888 |
| Lokaler Name | 2,5-Dichlorthiophen |
Chemische & physikalische Eigenschaften
| XLogP | 3,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 28,2 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 58 |
| Physical Description | Clear liquid with a stenchDarkens on storage[Acros Organics MSDS] |
| Schmelzpunkt | -41--40°C |
| Siedepunkt | 162 °C (lit.) |
| Dichte | 1.442 g/mL at 25 °C (lit.) |
| Brechungsindex | 1.561-1.563 |
| Flammpunkt | 59 °C |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | liquid |
| Wichte | 1.442 |
| Farbe | Colorless to Light yellow to Light orange |
| BRN | 109887 |
| InChI | InChI=1S/C4H2Cl2S/c5-3-1-2-4(6)7-3/h1-2H |
| InChIKey | FGYBDASKYMSNCX-UHFFFAOYSA-N |
| SMILES | C1(Cl)SC(Cl)=CC=1 |
| CAS Datenbank | 3172-52-9(CAS DataBase Reference) |
| NIST chemische Informationen | Thiophene, 2,5-dichloro-(3172-52-9) |
| EPA chemische Informationen | Thiophene, 2,5-dichloro- (3172-52-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]H300 (13.3%): Fatal if swallowed [Danger Acute toxicity, oral]H341 (11.1%): Suspected of causing genetic defects [Warning Germ cell mutagenicity]P203, P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P316, P303+P361+P353, P318, P321, P330, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 45 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Regulatorische Informationen | Thiophene, 2,5-dichloro-: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | An irritantMay cause CNS depression[Acros Organics MSDS] See 2-Bromothiophene. |
| Hazard Classes and Categories | Flam. Liq. 3 (100%)Acute Tox. 2 (13.3%)Muta. 2 (11.1%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | 2929 |
| Zollcode | 29349990 |
| R-Sätze (R) | 40-26/27/28-36/37/38-20/21/22 |
| Gefahrensymbole | T+,Xn |
| Sicherheitshinweise (S) | 45-36/37-28A-36-26 |
| Gefahrenklasse | 6.1Flam. Liq. 3 |
| Verpackungsgruppe | II |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
2,5-Dichlorothiophene is mainly used as a pharmaceutical intermediate. It is used in the synthesis of 3,4-disubstituted thiophenes.