HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1,3-Difluorbenzol
M-DIFLUOROBENZENE · 1,3-DFB · 1,3-DifL · DIFLOUROBENZENE · m-difluoro-benzen · m-Difluro Benzene · 1,3-Difluorbenzol · 3-DifluoroBenzene
Identifikatoren & physikalische Daten
| CAS No. | 372-18-9 |
|---|---|
| Summenformel | C6H4F2 |
| Durchschnittliche Molmasse | 114,09 g/mol |
| Monoisotopische Masse | 114,02810657 g/mol |
| SMILES | Fc1cccc(F)c1 |
| InChIKey | UEMGWPRHOOEKTA-UHFFFAOYSA-N |
| PubChem CID | 9741 |
| ChEBI | CHEBI:38584 |
| EC No. | 206-746-5 |
| DTXSID | DTXSID50190682 |
| Lokaler Name | 1,3-Difluorbenzol |
Chemische & physikalische Eigenschaften
| XLogP | 2,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 64,9 |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| Pestizide | Environmental transformation -> Pesticide transformation products (metabolite, successor) |
| Schmelzpunkt | -59 °C |
| Siedepunkt | 83 °C |
| Dichte | 1.163 g/mL at 25 °C(lit.) |
| Dampfdruck | 11.034-19.924kPa at 20-38.2℃ |
| Brechungsindex | n20/D 1.438(lit.) |
| Flammpunkt | 36 °F |
| Lagerbedingungen | Flammables area |
| Löslichkeit | 1.1g/linsoluble |
| Aggregatzustand | Liquid |
| Wichte | 1.163 |
| Farbe | Clear colorless to yellow |
| Spezifische Wärmekapazität | Cp(liquid): 1.39 J/(g·K), at 25℃ |
| BRN | 1904537 |
| Henry-Konstante | 3.6×10-3 mol/(m3Pa) at 25℃, Gharagheizi et al. (2012) |
| Dielektrizitätskonstante | 5.2400000000000002 |
| InChI | 1S/C6H4F2/c7-5-2-1-3-6(8)4-5/h1-4H |
| InChIKey | UEMGWPRHOOEKTA-UHFFFAOYSA-N |
| SMILES | Fc1cccc(F)c1 |
| LogP (Verteilungskoeffizient) | 2.21-2.52 at 25℃ and pH6.5 |
| CAS Datenbank | 372-18-9(CAS DataBase Reference) |
| NIST chemische Informationen | Benzene, 1,3-difluoro-(372-18-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264+P265, P271, P280, P303+P361+P353, P304+P340, P305+P351+P338, P317, P337+P317, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 58 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Benzene, 1,3-difluoro-Status: Active Update: 21-12-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/27443 |
| Hazard Classes and Categories | Flam. Liq. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 1 |
| UN-Transportnummer | UN 1993 3/PG 2 |
| Zollcode | 29036990 |
| RTECS-Nr. | CZ5652000 |
| R-Sätze (R) | 11-20-2017/11/20 |
| Gefahrensymbole | F,Xn |
| hazard_note | Highly Flammable |
| Sicherheitshinweise (S) | 7-16-29-33-7/9 |
| Gefahrenklasse | 3Flam. Liq. 2 |
| Verpackungsgruppe | II |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
It is used in the laser induced fluorencence matrix study of 1,3-difluorobenzene radical cation. It is also used synthesis of 1,2,3-triazole containing fluconazole analogues.