HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 67621Erstellt: 24. Oktober 2026
4-(Trifluormethoxy)benzonitril
uoromethoxy)benzonitriL · p-trifluoromethoxybenonitrile · p-Cyanotrifluoromethoxybenzene · 4-(Trifluoromethoxy)benzonitrile · 4-(Trifluoromethoxy)cyanobenzene · 4-(Trifluoromethyloxy)benzonitrile · Benzonitrile, 4-(trifluoromethoxy)- · 4-(Trifluoromethoxy)benzonitrile 98%
https://huagongshe.com/de/chemical/67621
Identifikatoren & physikalische Daten
| CAS No. | 332-25-2 |
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| Summenformel | C8H4F3NO |
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| Durchschnittliche Molmasse | 187,12 g/mol |
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| Monoisotopische Masse | 187,02449841 g/mol |
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| SMILES | N#Cc1ccc(OC(F)(F)F)cc1 |
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| InChIKey | XWHIXOMWXCHJPP-UHFFFAOYSA-N |
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| PubChem CID | 67621 |
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| EC No. | 206-363-3 |
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| DTXSID | DTXSID5073163 |
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| Lokaler Name | 4-(Trifluormethoxy)benzonitril |
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Chemische & physikalische Eigenschaften
| XLogP | 2,8 |
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| Polarare Oberfläche (TPSA) | 33 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 5 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 13 |
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| Formalladung | 0 |
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| Komplexität | 209 |
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| SpringerMaterials Properties | Chemical shift |
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| Siedepunkt | 192-193 °C(lit.) |
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| Dichte | 1.285 g/mL at 25 °C(lit.) |
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| Brechungsindex | n20/D 1.452(lit.) |
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| Flammpunkt | 181 °F |
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| Lagerbedingungen | Inert atmosphere,Room Temperature |
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| Aggregatzustand | clear liquid |
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| Farbe | Colorless to Almost colorless |
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| BRN | 2832939 |
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| InChI | InChI=1S/C8H4F3NO/c9-8(10,11)13-7-3-1-6(5-12)2-4-7/h1-4H |
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| InChIKey | XWHIXOMWXCHJPP-UHFFFAOYSA-N |
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| SMILES | C(#N)C1=CC=C(OC(F)(F)F)C=C1 |
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| CAS Datenbank | 332-25-2(CAS DataBase Reference) |
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| EPA chemische Informationen | Benzonitrile, 4-(trifluoromethoxy)- (332-25-2) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (95.7%): 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 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Acute Tox. 4 (95.7%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| UN-Transportnummer | 3276 |
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| Zollcode | 29269090 |
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| R-Sätze (R) | 20/21/22-36/37/38 |
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| Gefahrensymbole | Xn,T,Xi |
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| hazard_note | Toxic |
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| Sicherheitshinweise (S) | 26-36/37/39-45 |
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| Gefahrenklasse | 6.1 |
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| Verpackungsgruppe | III |
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