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3,5-Dichlor-2,4,6-trifluorpyridin
LABOTEST-BB LT00848192 · ,5-Dichlorotrifluoropyridine · 3,5-DICHLOROTRIFLUOROPYRIDINE · 2,6-DICHLORO-1,3,5-TRIFLUOROBENZENE · 3,5-Dichloro2,4,6-trifloro pyridine · 2,4,6-TRIFLUORO-3,5-DICHLOROPYRIDINE · 3,5-DICHLORO-2,4,6-TRIFLUOROPYRIDINE · 3,5-Dichlloro-2,4,6-trifluoropyridine
Identifikatoren & physikalische Daten
| CAS No. | 1737-93-5 |
|---|---|
| Summenformel | C5Cl2F3N |
| Durchschnittliche Molmasse | 201,96 g/mol |
| Monoisotopische Masse | 200,93598902 g/mol |
| SMILES | Fc1nc(F)c(Cl)c(F)c1Cl |
| InChIKey | PKSORSNCSXBXOT-UHFFFAOYSA-N |
| PubChem CID | 61273 |
| EC No. | 217-088-3 |
| DTXSID | DTXSID2042357 |
| Lokaler Name | 3,5-Dichlor-2,4,6-trifluorpyridin |
Chemische & physikalische Eigenschaften
| XLogP | 3,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 12,9 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 134 |
| Stoffklassen | Toxic Gases & Vapors -> Other Toxic Gases & Vapors |
| Physical Description | 3,5-dichloro-2,4,6-trifluoropyridine appears as a colorless liquid. Insoluble in water and denser than water. Hence sinks in water. Contact may irritate skin, eyes, and mucous membranes. Very toxic by ingestion, inhalation and skin absorption. Used to make other chemicals.[CAMEO] |
| Schmelzpunkt | 23-24 °C |
| Siedepunkt | 159-160 °C(lit.) |
| Dichte | 1.622 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.478(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
| pKa (Säurekonstante) | -4.30±0.10(Predicted) |
| Wichte | 1.622 |
| BRN | 475874 |
| Henry-Konstante | 1.6×100 mol/(m3Pa) at 25℃, Zhang et al. (2010) |
| InChI | InChI=1S/C5Cl2F3N/c6-1-3(8)2(7)5(10)11-4(1)9 |
| InChIKey | PKSORSNCSXBXOT-UHFFFAOYSA-N |
| SMILES | C1(F)=NC(F)=C(Cl)C(F)=C1Cl |
| CAS Datenbank | 1737-93-5(CAS DataBase Reference) |
| NIST chemische Informationen | Pyridine, 3,5-dichloro-2,4,6-trifluoro-(1737-93-5) |
| EPA chemische Informationen | Pyridine, 3,5-dichloro-2,4,6-trifluoro- (1737-93-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (17.8%): Toxic if swallowed [Danger Acute toxicity, oral]P260, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P332+P317, P333+P317, P337+P317, P361+P364, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 118 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazards Identification | Toxic/poison by inhalation (TIH/PIH) |
| Regulatorische Informationen | Pyridine, 3,5-dichloro-2,4,6-trifluoro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Pyridine, 3,5-dichloro-2,4,6-trifluoro- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance. |
| DOT-Kennzeichnung | Poison Inhalation Hazard |
| Brandgefahren | Excerpt from ERG Guide 151 [Substances - Toxic (Non-Combustible)]:· Non-combustible, substance itself does not burn but may decompose upon heating to produce corrosive and/or toxic fumes. |
| Gesundheitsgefahren | Excerpt from ERG Guide 151 [Substances - Toxic (Non-Combustible)]:· Highly toxic, may be fatal if inhaled, ingested or absorbed through skin. |
| Gefahrenübersicht | An irritant to the skin, eyes, and upper respiratory tractVery toxic if ingested, inhaled, or absorbed through the skinMay produce corrosive gases if heatedContainers may explode if heated[CAMEO] |
| DOT-Nummer und Handbuch | 9264 151 |
| Reaktive Gruppe | Amines, Phosphines, and Pyridines |
| Reactivity Profile | 3,5-DICHLORO-2,4,6-TRIFLUOROPYRIDINE is a halide- and amine-substituted aromatic compound. Behaves as a weak chemical base, neutralizing acids in exothermic reactions. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen may be generated in combination with strong reducing agents, such as hydrides. |
Anwendungen & Verwendung
Verwenden
3,5-Dichloro-2,4,6-trifluoropyridine serves as a base for agrochemicals[3]. The compound acts as a precursor in Suzuki–Miyaura reactions with arylboronic acids to prepare 3,5-diaryl-2,4,6-trifluoropyridines and 5-aryl-3-chloro-2,4,6-trifluoropyridines, and reacts with sodium methoxide to yield 3,5-dichloro-2-methoxy-4,6-difluoropyridine[1][2]. A 2% formulation of the substance is applied to skin samples[3].