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2-Chlor-5-(trifluormethyl)benzonitril
2-CHLORO-5-TRIFLUOROMET · 4-Chloro-3-cyanbenzotrifluoride · 4-CHLORO-3-CYANOBENZOTRIFLUORIDE · 4-Chloro-3-cyanobenzotrifluoride98% · 4-Chloro-3-cyanobenzotrifluoride 98% · 2-chloro-5-trifluoromethylbnezonitrile · 2-chloro-5-(trifluoromethyl)-benzonitril · 2-Chloro-5-(trifluoromethyl)benzonitrile
Identifikatoren & physikalische Daten
| CAS No. | 328-87-0 |
|---|---|
| Summenformel | C8H3ClF3N |
| Durchschnittliche Molmasse | 205,56 g/mol |
| Monoisotopische Masse | 204,99061144 g/mol |
| SMILES | N#Cc1cc(C(F)(F)F)ccc1Cl |
| InChIKey | LCISFYAQKHOWBP-UHFFFAOYSA-N |
| PubChem CID | 67604 |
| EC No. | 206-338-7 |
| DTXSID | DTXSID6059815 |
| Lokaler Name | 2-Chlor-5-(trifluormethyl)benzonitril |
Chemische & physikalische Eigenschaften
| XLogP | 3,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 23,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 229 |
| PFAS | PFAS -> PFAS identified in REACH Regulation EC No. 1272/2008 |
| Schmelzpunkt | 38-42 °C(lit.) |
| Siedepunkt | 210-212 °C(lit.) |
| Dichte | 1.481 g/mL at 25 °C(lit.) |
| Flammpunkt | 215 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | soluble in Methanol |
| Aggregatzustand | powder to crystal |
| Farbe | White to Gray to Brown |
| BRN | 1912184 |
| InChI | InChI=1S/C8H3ClF3N/c9-7-2-1-6(8(10,11)12)3-5(7)4-13/h1-3H |
| InChIKey | LCISFYAQKHOWBP-UHFFFAOYSA-N |
| SMILES | C(#N)C1=CC(C(F)(F)F)=CC=C1Cl |
| CAS Datenbank | 328-87-0(CAS DataBase Reference) |
| EPA chemische Informationen | Benzonitrile, 2-chloro-5-(trifluoromethyl)- (328-87-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (16.7%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 29-06-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/25065 |
| Hazard Classes and Categories | Acute Tox. 4 (16.7%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | 3276 |
| Zollcode | 29269090 |
| R-Sätze (R) | 36/37/38-20/21/22 |
| Gefahrensymbole | Xi,T,Xn |
| hazard_note | Toxic |
| Sicherheitshinweise (S) | 26-36-36/37/39-22 |
| Gefahrenklasse | 6.1Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
4-Chloro-3-cyanobenzotrifluoride (CAS# 328-87-0) can be used to produce a thermal coupler control system in water supply systems.