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2,3,4-Trifluoroaniline
2,3,4-TRIFLUOROANILINE · 2,3,4,Triflouro Aniline · 2,3,4-TFA · TRIFLUOROANILINE · 4-Trifluoroaniline · 2,3,4-Trifluorobenze · 2,3,4-trifluoroaniune · 2,3,4-TRIFLUORANILINE
Identifikatoren & physikalische Daten
| CAS No. | 3862-73-5 |
|---|---|
| Summenformel | C6H4F3N |
| Durchschnittliche Molmasse | 147,1 g/mol |
| Monoisotopische Masse | 147,02958379 g/mol |
| SMILES | Nc1ccc(F)c(F)c1F |
| InChIKey | WRDGNXCXTDDYBZ-UHFFFAOYSA-N |
| PubChem CID | 77468 |
| EC No. | 407-170-9 |
| DTXSID | DTXSID60959469 |
Chemische & physikalische Eigenschaften
| XLogP | 1,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 26 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 120 |
| LogP (Verteilungskoeffizient) | 2.14 |
| Schmelzpunkt | 14-15°C |
| Siedepunkt | 92 °C/48 mmHg (lit.) |
| Dichte | 1.393 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.486(lit.) |
| Flammpunkt | 155 °F |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2–8 °C |
| pKa (Säurekonstante) | 2.25±0.10(Predicted) |
| Aggregatzustand | A liquid |
| Wichte | 1.393 |
| Farbe | Colorless to Light yellow to Light orange |
| BRN | 3245609 |
| InChI | InChI=1S/C6H4F3N/c7-3-1-2-4(10)6(9)5(3)8/h1-2H,10H2 |
| InChIKey | WRDGNXCXTDDYBZ-UHFFFAOYSA-N |
| SMILES | C1(N)=CC=C(F)C(F)=C1F |
| CAS Datenbank | 3862-73-5(CAS DataBase Reference) |
| EPA chemische Informationen | Benzenamine, 2,3,4-trifluoro-C198 (3862-73-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302: Harmful if swallowed [Warning Acute toxicity, oral]P260, P264, P264+P265, P270, P273, P280, P301+P317, P302+P352, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P391, and P501 (click each P-code to see the statement)H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
|---|---|
| Regulatorische Informationen | Status: Cease Manufacture Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/9710 |
| Hazard Classes and Categories | Acute Tox. 4 (100%)Acute toxicity - category 4Acute Tox. 4 * |
| F | 9 |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3082 9/PG 3 |
| Zollcode | 29214210 |
| RTECS-Nr. | CY1211500 |
| R-Sätze (R) | 21/22-38-41-48/22-51/53 |
| Toxizität | LD50 orl-rat: 699 mg/kg JACTDZ 1,61,90 |
| Gefahrensymbole | Xn,N,Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 23-26-36/37/39-61 |
| Gefahrenklasse | 9Acute Tox. 4 DermalAcute Tox. 4 OralAquatic Chronic 2Eye Dam. 1Skin Irrit. 2STOT RE 2 |
| Verpackungsgruppe | III |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
2,3,4-Trifluoroaniline was used in preparation of diethyl 2-(2,3,4-trifluoro)-phenylaminomethylene malonate.