HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 2735913Erstellt: 24. Oktober 2026
3-Amino-5-fluorobenzotrifluoride
3-TriMethyl-5-fluoroaniline · 3-AMINO-5-FLUOROBENZOTRIFLUORIDE · 3-FLUORO-5-(TRIFLUOROMETHYL)ANILINE · 3-Amino-5-fluorobenzotrifluoride98% · 3-Amino-5-fluorobenzotrifluoride 98% · 3-AMINO-5-FLUORO-TRIFLUOROMETHYLBENZENE · 3-fluoro-5-(trifluoromethyl)benzenamine · Benzenamine, 3-fluoro-5-(trifluoromethyl)-
https://huagongshe.com/de/chemical/2735913
Identifikatoren & physikalische Daten
| CAS No. | 454-67-1 |
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| Summenformel | C7H5F4N |
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| Durchschnittliche Molmasse | 179,11 g/mol |
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| Monoisotopische Masse | 179,03581204 g/mol |
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| SMILES | Nc1cc(F)cc(C(F)(F)F)c1 |
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| InChIKey | WQKQODZOQAFYPR-UHFFFAOYSA-N |
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| PubChem CID | 2735913 |
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| EC No. | 630-613-4 |
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| DTXSID | DTXSID30371018 |
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Chemische & physikalische Eigenschaften
| XLogP | 2,2 |
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| Polarare Oberfläche (TPSA) | 26 |
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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 | 12 |
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| Formalladung | 0 |
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| Komplexität | 156 |
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| Siedepunkt | 186.8±40.0 °C(Predicted) |
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| Dichte | 1.383±0.06 g/cm3(Predicted) |
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| Flammpunkt | 75 °C |
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| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2–8 °C |
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| Aggregatzustand | liquid |
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| pKa (Säurekonstante) | 2.36±0.10(Predicted) |
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| Farbe | Clear, colourless |
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| InChI | InChI=1S/C7H5F4N/c8-5-1-4(7(9,10)11)2-6(12)3-5/h1-3H,12H2 |
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| InChIKey | WQKQODZOQAFYPR-UHFFFAOYSA-N |
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| SMILES | C1(N)=CC(C(F)(F)F)=CC(F)=C1 |
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| CAS Datenbank | 454-67-1(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (97.9%): 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. |
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| Hazard Classes and Categories | Acute Tox. 4 (97.9%) |
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| Zollcode | 2921420090 |
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| R-Sätze (R) | 20/21/22-36/37/38 |
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| Gefahrensymbole | Xi,Xn |
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| hazard_note | Irritant |
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| Sicherheitshinweise (S) | 26-36/37/39-36 |
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| Gefahrenklasse | 6.1 |
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