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2,4-Difluoranilin
Difluoroaniline · 4-Difluoroaniline · 2,4-difluoro-anilin · Aniline, 2,4-difluoro- · 2,4-DIFLUOROPHENYLAMINE · AKOS 91127 · 2,4-Difluoranilin · 2,4-DIFLUROANILINE
Identifikatoren & physikalische Daten
| CAS No. | 367-25-9 |
|---|---|
| Summenformel | C6H5F2N |
| Durchschnittliche Molmasse | 129,11 g/mol |
| Monoisotopische Masse | 129,0390056 g/mol |
| SMILES | Nc1ccc(F)cc1F |
| InChIKey | CEPCPXLLFXPZGW-UHFFFAOYSA-N |
| PubChem CID | 9709 |
| ChEMBL | CHEMBL1423658 |
| EC No. | 206-687-5 |
| DTXSID | DTXSID6025064 |
| Lokaler Name | 2,4-Difluoranilin |
Chemische & physikalische Eigenschaften
| XLogP | 1,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 26 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 97,1 |
| Dichte | 1.268 (NTP, 1992) - Denser than waterwill sink1.268 g/mL at 25 °C (lit.) |
| Löslichkeit | 10 to 50 mg/mL at 68.9 °F (NTP, 1992)Not miscible or difficult to mix.1-5 g/100 mL at 20.55 ºC |
| Flammpunkt | 145 °F (NTP, 1992) |
| Siedepunkt | 338 °F at 753 mmHg (NTP, 1992)170 °C/753 mmHg (lit.) |
| Schmelzpunkt | 18.5 °F (NTP, 1992)-7.5 °C (lit.) |
| Physical Description | 2,4-difluoroaniline is a dark reddish-purple liquid. (NTP, 1992) |
| Brechungsindex | n20/D 1.506(lit.) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,2-8°C |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | 3.26±0.10(Predicted) |
| Wichte | 1.284 (20/4℃) |
| Farbe | Clear brown |
| Merck | 14,3147 |
| BRN | 2802556 |
| Stabilität | Stable. Combustible. Incompatible with strong oxidizing agents, acids, acid chlorides, acid anhydrides. |
| InChI | 1S/C6H5F2N/c7-4-1-2-6(9)5(8)3-4/h1-3H,9H2 |
| InChIKey | CEPCPXLLFXPZGW-UHFFFAOYSA-N |
| SMILES | Nc1ccc(F)cc1F |
| LogP (Verteilungskoeffizient) | 1.7 at 25℃ and pH5-9 |
| CAS Datenbank | 367-25-9(CAS DataBase Reference) |
| NIST chemische Informationen | 2,4-Difluoroaniline(367-25-9) |
| EPA chemische Informationen | 2,4-Difluoroaniline (367-25-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (99.4%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+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 157 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Benzenamine, 2,4-difluoro-Status: Active Update: 19-02-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/24338Benzenamine, 2,4-difluoro-: Does not have an individual approval but may be used under an appropriate group standard |
| DOT-Kennzeichnung | Poison |
| Brandgefahren | This compound is combustible. (NTP, 1992) |
| Gesundheitsgefahren | ACUTE/CHRONIC HAZARDS: This compound may be irritating to tissues. (NTP, 1992) |
| Reaktive Gruppe | Aryl Halides |
| Reactivity Profile | Anilines are chemical bases. They neutralize acids to form salts plus water. These acid-base reactions are exothermic. The amount of heat that is evolved per mole of amine in a neutralization is largely independent of the strength of the amine as a base. Amines may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides. |
| Air and Water Reactions | This chemical may be sensitive to prolonged exposure to air. (NTP, 1992). Water soluble. |
| Hazard Classes and Categories | Acute Tox. 4 (99.4%) |
| Brandbekämpfung | Fires involving this compound can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992) |
| Erste Hilfe | EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. |
Anwendungen & Verwendung
Verwenden
2,4-Difluoroaniline is an important raw material and intermediate used in organic synthesis, pharmaceuticals agrochemicals and dyestuff fields.