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3-(Trifluormethyl)pyridin
3-(TRIFLUOROMETHYL)PYRIDINE · 3-TP · 3-TF · AKOS BBS-00001545 · à,à,à-trifluoro-3-picoline · 3- trifloro methyl pyridine · Pyridine, 3-(trifluoromethyl)- · 3-(Trifluoromethyl)pyridine97%
Identifikatoren & physikalische Daten
| CAS No. | 3796-23-4 |
|---|---|
| Summenformel | C6H4F3N |
| Durchschnittliche Molmasse | 147,1 g/mol |
| Monoisotopische Masse | 147,02958379 g/mol |
| SMILES | FC(F)(F)c1cccnc1 |
| InChIKey | JTZSFNHHVULOGJ-UHFFFAOYSA-N |
| PubChem CID | 77417 |
| EC No. | 223-268-2 |
| DTXSID | DTXSID10191397 |
| Lokaler Name | 3-(Trifluormethyl)pyridin |
Chemische & physikalische Eigenschaften
| XLogP | 1,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 12,9 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 110 |
| SpringerMaterials Properties | Chemical shift |
| Siedepunkt | 113-115 °C (lit.) |
| Dichte | 1.276 g/mL at 25 °C |
| Brechungsindex | n20/D 1.418 |
| Flammpunkt | 74 °F |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Aggregatzustand | clear liquid |
| pKa (Säurekonstante) | 2.80±0.10(Predicted) |
| Farbe | Colorless to Light yellow |
| BRN | 1563102 |
| InChI | InChI=1S/C6H4F3N/c7-6(8,9)5-2-1-3-10-4-5/h1-4H |
| InChIKey | JTZSFNHHVULOGJ-UHFFFAOYSA-N |
| SMILES | C1=NC=CC=C1C(F)(F)F |
| CAS Datenbank | 3796-23-4(CAS DataBase Reference) |
| NIST chemische Informationen | 3-(CF3)-pyridine(3796-23-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH225 (10.4%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 2 (10.4%) |
| Wassergefährdungsklasse (WGK) | 2 |
| UN-Transportnummer | UN 1992 3/PG 3 |
| Zollcode | 2933399990 |
| R-Sätze (R) | 10-25-36/37/38-11 |
| Gefahrensymbole | T,Xi,F |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-45-37-36 |
| Gefahrenklasse | 3Acute Tox. 2 OralEye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | II |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
3-(Trifluoromethyl)pyridine is a reagent used to improve amyloid detection in the brain during MRI.