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2,6-Difluoranilin
2,6-DIFLUOROBENZENAMINE · 2,6-Difuluoroaniline · 2,6-DifluorophenylaMine · 2,6-DifluorobenzeneaMine · 26DFA · NSC 127234 · JACS-5509-65-9 · 6-Difluoroaniline
Identifikatoren & physikalische Daten
| CAS No. | 5509-65-9 |
|---|---|
| Summenformel | C6H5F2N |
| Durchschnittliche Molmasse | 129,11 g/mol |
| Monoisotopische Masse | 129,0390056 g/mol |
| SMILES | Nc1c(F)cccc1F |
| InChIKey | ODUZJBKKYBQIBX-UHFFFAOYSA-N |
| PubChem CID | 79647 |
| EC No. | 226-853-0 |
| DTXSID | DTXSID2073350 |
| Lokaler Name | 2,6-Difluoranilin |
Chemische & physikalische Eigenschaften
| XLogP | 1,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 26 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 87,1 |
| SpringerMaterials Properties | Schoenflies notation |
| LogP (Verteilungskoeffizient) | 1.61 |
| Physical Description | Liquid |
| Siedepunkt | 51-52 °C/15 mmHg (lit.) |
| Dichte | 1.199 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.508(lit.) |
| Flammpunkt | 110 °F |
| Lagerbedingungen | Keep in dark place,Sealed in dry,2-8°C |
| Löslichkeit | Chloroform, Ethyl Acetate (Slightly)Slightly soluble in water. |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | 1.81±0.10(Predicted) |
| Wichte | 1.28 |
| Farbe | Clear yellow to brown |
| BRN | 2802697 |
| Stabilität | Hygroscopic |
| InChI | 1S/C6H5F2N/c7-4-2-1-3-5(8)6(4)9/h1-3H,9H2 |
| InChIKey | ODUZJBKKYBQIBX-UHFFFAOYSA-N |
| SMILES | Nc1c(F)cccc1F |
| CAS Datenbank | 5509-65-9(CAS DataBase Reference) |
| NIST chemische Informationen | 2,6-Difluoroaniline(5509-65-9) |
| EPA chemische Informationen | 2,6-Difluoroaniline (5509-65-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P203, P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P318, P319, P321, P330, P333+P317, P361+P364, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 133 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Benzenamine, 2,6-difluoro-Benzenamine, 2,6-difluoro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenamine, 2,6-difluoro- 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. |
| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
| F | 8-10-23 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 1993 3/PG 3 |
| Zollcode | 29214210 |
| R-Sätze (R) | 10-20/21/22-36/37/38 |
| Gefahrensymbole | Xn,Xi,F |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 36-36/37/39-26-23-16-16/23/26/36/37/39-24/25 |
| Gefahrenklasse | 3Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralFlam. Liq. 3Skin Sens. 1 |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
2,6-Difluoroaniline is an important chemical in the sythesis technology for high-efficiency insecticide.
Verwenden
2,6-Difluoroaniline and several related primary amines are oxidized in chloroform by peroxybenzoic acid to the corresponding nitroso compounds. For example, treatment of 2,6-difluoroaniline with sodium azide can obtain 4-fluoro-2,1,3-benzoxadiazole, and the product is nitrified to obtain 7-nitro derivatives[1]. 2,6-Difluoroaniline is an important raw material and intermediate in organic synthesis, medicine, pesticides, dyes and other fields.