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1,4-Difluor-2-nitrobenzol
1,4-DIFLUORO-2-NITROBENZENE · AKOS BBS-00006468 · 2,5-Difluoronitroben · 3,5-diflurobenzalcohol · 2,5-Difluotonitrobenzene · 2,5-DIFLUORONITROBENZENE · 2,5-Difluoro-1-nitrobenzene · 1,4-difluoro-2-nitro-benzen
Identifikatoren & physikalische Daten
| CAS No. | 364-74-9 |
|---|---|
| Summenformel | C6H3F2NO2 |
| Durchschnittliche Molmasse | 159,09 g/mol |
| Monoisotopische Masse | 159,01318478 g/mol |
| SMILES | O=[N+]([O-])c1cc(F)ccc1F |
| InChIKey | XNJAYQHWXYJBBD-UHFFFAOYSA-N |
| PubChem CID | 67767 |
| ChEMBL | CHEMBL164704 |
| EC No. | 206-663-4 |
| DTXSID | DTXSID60189921 |
| Lokaler Name | 1,4-Difluor-2-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 |
| Stoffklassen | Nitrogen Compounds -> Nitros, Aromatic |
| SpringerMaterials Properties | Optical coefficient |
| LogP (Verteilungskoeffizient) | 1.86 |
| Dampfdruck | 0.35 [mmHg] |
| Physical Description | Light yellow liquid[Alfa Aesar MSDS] |
| Schmelzpunkt | -11.7 °C (lit.) |
| Siedepunkt | 206.5 °C (lit.) |
| Dichte | 1.467 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.509(lit.) |
| Flammpunkt | 194 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | Liquid |
| Farbe | Clear yellow |
| Wichte | 1.467 |
| Löslichkeit | insoluble |
| BRN | 2210200 |
| InChI | InChI=1S/C6H3F2NO2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H |
| InChIKey | XNJAYQHWXYJBBD-UHFFFAOYSA-N |
| SMILES | C1(F)=CC=C(F)C=C1[N+]([O-])=O |
| CAS Datenbank | 364-74-9(CAS DataBase Reference) |
| NIST chemische Informationen | 2,5-Difluoronitrobenzene(364-74-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (16.3%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 49 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Gefahrenübersicht | Causes methemoglobinemia in acute oral studies of rats[RTECS] A skin and strong eye irritantToxic by inhalationHarmful by ingestion and skin absorptionMay have cumulative effects[Alfa Aesar MSDS] |
| Hazard Classes and Categories | Acute Tox. 4 (16.3%) |
| Unerwünschte Wirkungen | Methemoglobinemia - The presence of increased methemoglobin in the bloodthe compound is classified as secondary toxic effect |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 2810 |
| Zollcode | 29049090 |
| RTECS-Nr. | CZ5715000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36 |
| Gefahrenklasse | 6.1Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
2,5-Difluoronitrobenzene was used in the synthesis of :N-alkylated 2-arylaminobenzimidazolesquinoxalinonesN-(2-nitro-4-fluorophenyl)-l,2,3,4-tetrahydroisoquinoline