HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Bromo-2-chloro-5-fluorobenzoic acid
4-Bromo-2-chloro-5-fluorobenzoicaci · 2-Chloro-4-bromo-5-fluorobenzoic acid · 4-BROMO-2-CHLORO-5-FLUOROBENZOIC ACID · 4-Bromo-2-chloro-5-fluorobenzoicacid,98% · Benzoic acid, 4-bromo-2-chloro-5-fluoro- · 4-bromo-2-chloro-5-fluorobenzenemacetic acid
Identifikatoren & physikalische Daten
| CAS No. | 177480-81-8 |
|---|---|
| Summenformel | C7H3BrClFO2 |
| Durchschnittliche Molmasse | 253,45 g/mol |
| Monoisotopische Masse | 251,89889734 g/mol |
| SMILES | O=C(O)c1cc(F)c(Br)cc1Cl |
| InChIKey | TZFKKLGCVKORLS-UHFFFAOYSA-N |
| PubChem CID | 2736225 |
| EC No. | 630-283-1 |
| DTXSID | DTXSID30371215 |
Chemische & physikalische Eigenschaften
| XLogP | 2,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 37,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 190 |
| Siedepunkt | 314.5±42.0 °C(Predicted) |
| Dichte | 1.887±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| pKa (Säurekonstante) | 2.29±0.25(Predicted) |
| Aggregatzustand | Solid |
| Farbe | Off-white |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 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 | Acute Tox. 4 (50%) |
| Zollcode | 2916399090 |
| Gefahrensymbole | Xi |
| Gefahrenklasse | IRRITANT |
Anwendungen & Verwendung
Verwenden
4-Bromo-2-chloro-5-fluorobenzoic acid is mainly used as chemical reagents, fine chemicals, pharmaceutical intermediates and material intermediates.