HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-(Trichloromethyl)benzonitrile
Tranexamic Impurity 8 · p-cyanobenzo trichloride · Tranexamic Acid Impurity 10 · 4-Trichloromethylbenzonitrile · 4-Cyano-1-trichloromethylbenzene · Benzonitrile, 4-(trichloromethyl)- · 4-(trichloromethyl)benzenecarbonitrile · Betrixaban 4-Trichloromethylbenzonitrile Impurity
Identifikatoren & physikalische Daten
| CAS No. | 2179-45-5 |
|---|---|
| Summenformel | C8H4Cl3N |
| Durchschnittliche Molmasse | 220,5 g/mol |
| Monoisotopische Masse | 218,940932 g/mol |
| SMILES | N#Cc1ccc(C(Cl)(Cl)Cl)cc1 |
| InChIKey | KHBCTNHFESKSDC-UHFFFAOYSA-N |
| PubChem CID | 285544 |
| EC No. | 862-243-6 |
| DTXSID | DTXSID00301347 |
Chemische & physikalische Eigenschaften
| XLogP | 3,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 23,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 192 |
| Schmelzpunkt | 40-41 °C |
| Siedepunkt | 160-162 °C |
| Dichte | 1.45±0.1 g/cm3(Predicted) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): 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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Alarmwort | Warnung |
| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302 |
Anwendungen & Verwendung
Verwenden
4-(Trichloromethyl)benzonitrile, is a building block used in various chemical syntheis such as in preparation of Betrixaban (B329500), a novel anticoagulant, and an oral direct inhibitor of factor Xa (FXa) for use in the prevention of venous thromboembolism (VTE).