HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Chlorothieno[2,3-d]pyrimidine
BUTTPARK 48\18-41 · 4-Chlorothieno[2,3-d]pyrimidine · 4-Chlorothienol[2,3-d]pyrimidine · Thieno[2,3-d]pyrimidine, 4-chloro- · 4-CHLOROTHIENO[2,3-D]PYRIMIDINE ISO 9001：2015 REACH
![Molekülstruktur von 4-Chlorothieno[2,3-d]pyrimidine](/img/chemical/736618.png)
Identifikatoren & physikalische Daten
| CAS No. | 14080-59-2 |
|---|---|
| Summenformel | C6H3ClN2S |
| Durchschnittliche Molmasse | 170,62 g/mol |
| Monoisotopische Masse | 169,97054678 g/mol |
| SMILES | Clc1ncnc2sccc12 |
| InChIKey | NZCRUBBNZGVREM-UHFFFAOYSA-N |
| PubChem CID | 736618 |
| ChEBI | CHEBI:194638 |
| EC No. | 672-503-9 |
| DTXSID | DTXSID50353073 |
Chemische & physikalische Eigenschaften
| XLogP | 2,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 54 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 133 |
| Schmelzpunkt | 109-113°C |
| Siedepunkt | 285.7±20.0 °C(Predicted) |
| Dichte | 1.531±0.06 g/cm3(Predicted) |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
| Löslichkeit | Dichloromethane, DMSO |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 0.42±0.40(Predicted) |
| Farbe | Slightly Yellowish Crystalline |
| CAS Datenbank | 14080-59-2(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (66.7%): 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (66.7%) |
| UN-Transportnummer | UN2811 |
| Zollcode | 2933599590 |
| R-Sätze (R) | 25-36 |
| Gefahrensymbole | Xi,T |
| Sicherheitshinweise (S) | 26-45 |
Anwendungen & Verwendung
Verwenden
4-Chlorothieno[2,3-d]pyrimidine (cas# 14080-59-2) is a compound useful in organic synthesis.