HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Chlor-1-fluor-2-nitrobenzol
4-CHLORO-1-FLUORO-2-NITRO-BENZENE · 5-Chloro-2-fluoronit · 2-FLUORO-5-CHLORONITROBENZENE · 5-CHLORO-2-FLUORONITROBENZENE · 5-chloro-2-fluoronitrobenzenen · 4-CHLORO-2-NITRO FLUORO BENZENE · 1-CHLORO-4-FLUORO-3-NITROBENZENE · 1-Nitro-2-fluoro-5-chlorobenzene
Identifikatoren & physikalische Daten
| CAS No. | 345-18-6 |
|---|---|
| Summenformel | C6H3ClFNO2 |
| Durchschnittliche Molmasse | 175,54 g/mol |
| Monoisotopische Masse | 174,9836342 g/mol |
| SMILES | O=[N+]([O-])c1cc(Cl)ccc1F |
| InChIKey | DIAWBHLTWNWYGR-UHFFFAOYSA-N |
| PubChem CID | 67660 |
| EC No. | 206-457-4 |
| DTXSID | DTXSID20188056 |
| Lokaler Name | 4-Chlor-1-fluor-2-nitrobenzol |
Chemische & physikalische Eigenschaften
| XLogP | 2,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 45,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 161 |
| Schmelzpunkt | 8.3 °C |
| Siedepunkt | 236 °C |
| Dichte | 1.49g/ml |
| Brechungsindex | 1.5490-1.5530 |
| Flammpunkt | 97 °C |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | clear liquid |
| Farbe | Light yellow to Yellow to Orange |
| Wichte | 1.48 |
| CAS Datenbank | 345-18-6(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]H314 (33.3%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P321, P330, P332+P317, P337+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (33.3%)Skin Corr. 1B (33.3%)Skin Irrit. 2 (66.7%)Eye Irrit. 2 (66.7%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3261 8 / PGII |
| Zollcode | 2904990090 |
| R-Sätze (R) | 20/21/22-36/37/38-34 |
| Gefahrensymbole | Xi,C |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 36/37/39-45 |
Anwendungen & Verwendung
Verwenden
5-Chloro-2-fluoronitrobenzene is an organic synthetic reagent or pharmaceutical intermediate component. It can be used in the synthesis of aniline intermediates of ureidoolefins, and the amino and hydroxyl groups at the 4-position of these aniline intermediates are useful in the further preparation of macrocyclic urea kinase inhibitors.