HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Chloro-2-fluorobenzaldehyde
TIMTEC-BB SBB003987 · 3-Chloro-2-fluorobenzaldehvd · 3-CHLORO-2-FLUOROBENZALDEHYDE · 3-Chloro-2-Flourobenzaldehyde · 2-fluoro-3-chloro-benzaldehyde · Benzaldehyde,3-chloro-2-fluoro- · 3-Chloro-2-fluorobenzaldehyde97% · 3-Chloro-2-fluorobenzaldehyde >3-Chloro-2-fluorobenzaldehyde 97%
Identifikatoren & physikalische Daten
| CAS No. | 85070-48-0 |
|---|---|
| Summenformel | C7H4ClFO |
| Durchschnittliche Molmasse | 158,56 g/mol |
| Monoisotopische Masse | 157,99347065 g/mol |
| SMILES | O=Cc1cccc(Cl)c1F |
| InChIKey | YAOZCMANASAVFN-UHFFFAOYSA-N |
| PubChem CID | 736335 |
| EC No. | 617-667-4 |
| DTXSID | DTXSID80352998 |
Chemische & physikalische Eigenschaften
| XLogP | 2,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 129 |
| Siedepunkt | 214 °C (lit.) |
| Dichte | 1.35 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.545(lit.) |
| Flammpunkt | 186 °F |
| Lagerbedingungen | Inert atmosphere,2-8°C |
| Aggregatzustand | clear liquid |
| Farbe | Light orange to Yellow to Green |
| BRN | 5861249 |
| InChI | InChI=1S/C7H4ClFO/c8-6-3-1-2-5(4-10)7(6)9/h1-4H |
| InChIKey | YAOZCMANASAVFN-UHFFFAOYSA-N |
| SMILES | C(=O)C1=CC=CC(Cl)=C1F |
| CAS Datenbank | 85070-48-0(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29130000 |
| R-Sätze (R) | 36/37/38-20/21/22 |
| Gefahrensymbole | Xi,Xn |
| Sicherheitshinweise (S) | 26-36-37/39 |
| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
3-Chloro-2-fluorobenzaldehyde is an intermediate used to synthesize small-molecule inhibitors of MDM2-p53 interaction as antitumor agents. It is also used to prepare flavonoid derivatives as selective neuromedin U 2 receptor agonists for obesity treatment.