HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 607248Erstellt: 25. Oktober 2026
3-Chloro-5-(trifluoromethyl)-2-pyridinamine
2-AMINO-3-CHLORO-5-(TRIFLUOROMETHYL)PYRIDINE · ACTP · 5-ACTF · 2,3,5-actf · Compound Fr12847 · TIMTEC-BB SBB003584 · 3-Chloro-5-(trifluor · LABOTEST-BB LT00012608
https://huagongshe.com/de/chemical/607248
Identifikatoren & physikalische Daten
| CAS No. | 79456-26-1 |
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| Summenformel | C6H4ClF3N2 |
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| Durchschnittliche Molmasse | 196,56 g/mol |
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| Monoisotopische Masse | 196,00151047 g/mol |
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| SMILES | Nc1ncc(C(F)(F)F)cc1Cl |
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| InChIKey | WXNPZQIRDCDLJD-UHFFFAOYSA-N |
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| PubChem CID | 607248 |
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| ChEMBL | CHEMBL5407211 |
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| ChEBI | CHEBI:194671 |
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| EC No. | 401-670-0 |
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| DTXSID | DTXSID00345807 |
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Chemische & physikalische Eigenschaften
| XLogP | 2 |
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| Polarare Oberfläche (TPSA) | 38,9 |
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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 | 161 |
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| PFAS | PFAS -> Suspected persistent, mobile, toxic (PMT) PFAS or PFAS-like compoundsPFAS -> PFAS identified in REACH Regulation EC No. 1272/2008 |
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| Schmelzpunkt | 86-90 °C (lit.) |
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| Siedepunkt | 205°C |
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| Dichte | 1.4650 (estimate) |
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| Dampfdruck | 40.8Pa at 24.85℃ |
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| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2–8 °C |
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| Löslichkeit | Chloroform (Slightly), Methanol (Slightly)622mg/L at 25℃ |
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| pKa (Säurekonstante) | 1.79±0.49(Predicted) |
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| Aggregatzustand | Crystalline Powder |
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| Farbe | White to off-white |
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| InChI | InChI=1S/C6H4ClF3N2/c7-4-1-3(6(8,9)10)2-12-5(4)11/h1-2H,(H2,11,12) |
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| InChIKey | WXNPZQIRDCDLJD-UHFFFAOYSA-N |
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| SMILES | C1(N)=NC=C(C(F)(F)F)C=C1Cl |
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| LogP (Verteilungskoeffizient) | 2.59 at 20℃ |
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| CAS Datenbank | 79456-26-1(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302: Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P273, P301+P317, P330, and P501 (click each P-code to see the statement)H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement) |
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| Regulatorische Informationen | Status: Active Update: 18-09-2009 https://echa.europa.eu/registration-dossier/-/registered-dossier/1312 |
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| Hazard Classes and Categories | Acute Tox. 4 (100%)Acute toxicity - category 4Acute Tox. 4 * |
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| Wassergefährdungsklasse (WGK) | 2 |
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| Zollcode | 29339900 |
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| R-Sätze (R) | 22-52/53-36/37/38-20/21/22 |
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| Gefahrensymbole | Xn,Xi |
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| Sicherheitshinweise (S) | 61-36/37/39-26-22 |
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| Gefahrenklasse | IRRITANTAcute Tox. 4 OralAquatic Chronic 3 |
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| Lagerklasse | 11 - Combustible Solids |
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