HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1,3-Difluor-4-nitrobenzol
2,4-DIFLUORO-1-NITROBENZENE · 2.4 DFNB · 2,4-Difluoronitroben · 3,5-diflurobenzonitrile · 2,4-Difluronitrobenzene · 2,4-Difluoronitribenzene · 2,4-DIFLUORO NITROBENZEN · 2,4-DIFLUORONITROBENZENE
Identifikatoren & physikalische Daten
| CAS No. | 446-35-5 |
|---|---|
| Summenformel | C6H3F2NO2 |
| Durchschnittliche Molmasse | 159,09 g/mol |
| Monoisotopische Masse | 159,01318478 g/mol |
| SMILES | O=[N+]([O-])c1ccc(F)cc1F |
| InChIKey | RJXOVESYJFXCGI-UHFFFAOYSA-N |
| PubChem CID | 67967 |
| ChEMBL | CHEMBL31425 |
| EC No. | 207-167-0 |
| DTXSID | DTXSID0032869 |
| Lokaler Name | 1,3-Difluor-4-nitrobenzol |
Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 45,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 159 |
| SpringerMaterials Properties | Optical coefficient |
| Schmelzpunkt | 9-10 °C (lit.) |
| Siedepunkt | 203-204 °C (lit.) |
| Dichte | 1.451 g/mL at 25 °C (lit.) |
| Dampfdichte | >1 (vs air) |
| Brechungsindex | n20/D 1.511(lit.) |
| Flammpunkt | 195 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | clear liquid |
| Farbe | Light yellow to Brown |
| Wichte | 1.45 |
| Löslichkeit | Insoluble in water. |
| BRN | 2048034 |
| Stabilität | Stable. Incompatible with strong bases, strong oxidizing agents. Combustible. |
| InChI | 1S/C6H3F2NO2/c7-4-1-2-6(9(10)11)5(8)3-4/h1-3H |
| InChIKey | RJXOVESYJFXCGI-UHFFFAOYSA-N |
| SMILES | [O-][N+](=O)c1ccc(F)cc1F |
| CAS Datenbank | 446-35-5(CAS DataBase Reference) |
| NIST chemische Informationen | 2,4-Difluoronitrobenzene(446-35-5) |
| EPA chemische Informationen | 2,4-Difluoronitrobenzene (446-35-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 50 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H227: Combustible liquid [Warning Flammable liquids] |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (100%)Flammable liquids - Category 4 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2810 6.1/PG 1 |
| Zollcode | 29049090 |
| RTECS-Nr. | CZ5730000 |
| R-Sätze (R) | 25-36/37/38-23/24/25-20/21/22 |
| Gefahrensymbole | T,Xi,Xn |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-45-36/37/39-23 |
| Gefahrenklasse | 6.1Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
Anwendungen & Verwendung
Verwenden
2,4-Difluoronitrobenzene has been used in the synthesis of: 2,4-difluoro-5-nitrobenzenesulfonic acid via sulfonation reaction; (±)-horsfiline; resin-bound 2-arylaminobenzimidazoles.2,4-Difluoronitrobenzene is a reactant in the preparation of 4-thiazolidinone derivatives as antimicrobial agents.