HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Chloro-2-fluoro-5-nitrobenzoic acid
Pibrentasvir Impurity 13 · 4-Chloro-2-fluoro-5-nitrobenzoic · 4-chloro-2-fluoro-5-nitrobenzoate · 4-Chloro-2-fluoro-5-nitrobenzoic acid · 2-Fluoro-4-chloro-5-nitrobenzoic acid · 5-Carboxy-2-chloro-4-fluoronitrobenzene · 4-Chloro-2-fluoro-5-nitrobenzoicacid98% · Benzoic acid, 4-chloro-2-fluoro-5-nitro-
Identifikatoren & physikalische Daten
| CAS No. | 35112-05-1 |
|---|---|
| Summenformel | C7H3ClFNO4 |
| Durchschnittliche Molmasse | 219,55 g/mol |
| Monoisotopische Masse | 218,9734634 g/mol |
| SMILES | O=C(O)c1cc([N+](=O)[O-])c(Cl)cc1F |
| InChIKey | KAONECPATVTFST-UHFFFAOYSA-N |
| PubChem CID | 3774553 |
| EC No. | 630-011-1 |
| DTXSID | DTXSID40396252 |
Chemische & physikalische Eigenschaften
| XLogP | 2 |
|---|---|
| Polarare Oberfläche (TPSA) | 83,1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 257 |
| Schmelzpunkt | 146-150°C |
| Siedepunkt | 361.4±42.0 °C(Predicted) |
| Dichte | 1.689±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | powder |
| pKa (Säurekonstante) | 2.45±0.12(Predicted) |
| Farbe | White |
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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Zollcode | 2916399090 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant/Keep Cold |
| Sicherheitshinweise (S) | 26-36/37/39 |
Anwendungen & Verwendung
Verwenden
4-Chloro-2-fluoro-5-nitrobenzoic acid is a commercially available multireactive building block that can serve as a starting material in heterocyclic oriented synthesis (HOS) leading to various condensed nitrogenous cycles.