HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
5-Chloro-2-fluorobenzoyl chloride
SKL1303 · BUTTPARK 45\01-10 · 2-FLUORO-5-CHLOROBENZOYL CHLORIDE · Chlorofluorobenzoylchloride 52--- · 5-Chloro-2-fluorobenzoyl chloride · Benzoyl chloride, 5-chloro-2-fluoro- · 5-Chloro-2-fluorobenzoyl chloride 97% · 5-Chloro-2-fluorobenzoyl chloride, 97+%
Identifikatoren & physikalische Daten
| CAS No. | 394-29-6 |
|---|---|
| Summenformel | C7H3Cl2FO |
| Durchschnittliche Molmasse | 193 g/mol |
| Monoisotopische Masse | 191,9544983 g/mol |
| SMILES | O=C(Cl)c1cc(Cl)ccc1F |
| InChIKey | VWGAATKTEAKOCO-UHFFFAOYSA-N |
| PubChem CID | 2773604 |
| EC No. | 623-605-7 |
| DTXSID | DTXSID70378586 |
Chemische & physikalische Eigenschaften
| XLogP | 3,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 163 |
| Siedepunkt | 217-218 °C(lit.) |
| Dichte | 1.459 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.5545(lit.) |
| Flammpunkt | >230 °F |
| Aggregatzustand | fused / liquid solid |
| Farbe | Pale yellow |
| BRN | 3247304 |
| InChI | 1S/C7H3Cl2FO/c8-4-1-2-6(10)5(3-4)7(9)11/h1-3H |
| InChIKey | VWGAATKTEAKOCO-UHFFFAOYSA-N |
| SMILES | Fc1ccc(Cl)cc1C(Cl)=O |
| CAS Datenbank | 394-29-6(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H318 (83.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 48 reports by companies from 4 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 | Skin Corr. 1B (100%)Eye Dam. 1 (83.3%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3265 8/PG 3 |
| Zollcode | 29163990 |
| R-Sätze (R) | 34 |
| Gefahrensymbole | C |
| hazard_note | Corrosive |
| Sicherheitshinweise (S) | 26-27-36/37/39-45 |
| Gefahrenklasse | 8Eye Dam. 1Skin Corr. 1B |
| Verpackungsgruppe | II |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
2-Bromo-5-fluorobenzoic acid is used as pharmaceutical intermediates.