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HCID 73868Erstellt: 27. Oktober 2026
2-Amino-3-(trifluoromethyl)benzonitrile
2-AMINO-3-(TRIFLUOROMETHYL)BENZONITRILE · Benzonitrile, 2-amino-3-(trifluoromethyl)- · 2-Amino-3-(trifluoromethyl)benzonitrile98% · 2-Amino-3-(trifluoromethyl)benzonitrile 98%
https://huagongshe.com/de/chemical/73868
Identifikatoren & physikalische Daten
| CAS No. | 1483-54-1 |
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| Summenformel | C8H5F3N2 |
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| Durchschnittliche Molmasse | 186,13 g/mol |
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| Monoisotopische Masse | 186,04048282 g/mol |
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| SMILES | N#Cc1cccc(C(F)(F)F)c1N |
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| InChIKey | UHOSMRSMWHLHJO-UHFFFAOYSA-N |
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| PubChem CID | 73868 |
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| EC No. | 675-626-6 |
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| DTXSID | DTXSID701365963 |
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Chemische & physikalische Eigenschaften
| XLogP | 2,4 |
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| Polarare Oberfläche (TPSA) | 49,8 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 5 |
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| Frei drehbare Bindungen | 0 |
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| Schwere Atome | 13 |
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| Formalladung | 0 |
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| Komplexität | 227 |
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| Schmelzpunkt | 62-65 °C |
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| Siedepunkt | 263.9±40.0 °C(Predicted) |
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| Dichte | 1.37±0.1 g/cm3(Predicted) |
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| Lagerbedingungen | 2-8°C(protect from light) |
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| Aggregatzustand | Solid |
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| pKa (Säurekonstante) | -1.32±0.10(Predicted) |
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| InChI | InChI=1S/C8H5F3N2/c9-8(10,11)6-3-1-2-5(4-12)7(6)13/h1-3H,13H2 |
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| InChIKey | UHOSMRSMWHLHJO-UHFFFAOYSA-N |
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| SMILES | C(#N)C1=CC=CC(C(F)(F)F)=C1N |
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| CAS Datenbank | 58458-14-3(CAS DataBase Reference) |
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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)Aggregated GHS information provided per 2 reports by companies from 2 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 (100%) |
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| UN-Transportnummer | 3439 |
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| Zollcode | 2926907090 |
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| R-Sätze (R) | 20/21/22-36/37/38 |
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| Gefahrensymbole | Xi |
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| hazard_note | Irritant |
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| Sicherheitshinweise (S) | 26-36/37/39 |
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