HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Brom-4-fluorbenzaldehyd
3-Bromo-4-fluorobenz · LABOTEST-BB LT01143325 · 3-Brom-4-fluorbenzaldehyd · 3-Bromo-fluorobenzyldehyde · 3-BROMO-4-FLUOROBENZALDEHYDE · Benzaldehyde, 3-bromo-4-fluoro- · 3-Bromo-4-fluorobenzaldehyde98% · 3-Bromo-4-fluorobenzaldehyde,99%
Identifikatoren & physikalische Daten
| CAS No. | 77771-02-9 |
|---|---|
| Summenformel | C7H4BrFO |
| Durchschnittliche Molmasse | 203,01 g/mol |
| Monoisotopische Masse | 201,94295507 g/mol |
| SMILES | O=Cc1ccc(F)c(Br)c1 |
| InChIKey | FAHZIKXYYRGSHF-UHFFFAOYSA-N |
| PubChem CID | 173604 |
| ChEMBL | CHEMBL3183572 |
| EC No. | 278-764-1 |
| DTXSID | DTXSID6044989 |
| Lokaler Name | 3-Brom-4-fluorbenzaldehyd |
Chemische & physikalische Eigenschaften
| XLogP | 2,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 129 |
| Schmelzpunkt | 31-33 °C (lit.) |
| Siedepunkt | 138-139 °C/2.5 mmHg (lit.) |
| Dichte | 1.6698 (rough estimate) |
| Brechungsindex | 1.574 |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Aggregatzustand | Low Melting Solid |
| Farbe | White to light yellow |
| Löslichkeit | INSOLUBLE |
| BRN | 5806226 |
| InChI | InChI=1S/C7H4BrFO/c8-6-3-5(4-10)1-2-7(6)9/h1-4H |
| InChIKey | FAHZIKXYYRGSHF-UHFFFAOYSA-N |
| SMILES | C(=O)C1=CC=C(F)C(Br)=C1 |
| CAS Datenbank | 77771-02-9(CAS DataBase Reference) |
| EPA chemische Informationen | Benzaldehyde, 3-bromo-4-fluoro- (77771-02-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (84%): 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 50 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance. |
| Hazard Classes and Categories | Acute Tox. 4 (84%) |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29130000 |
| R-Sätze (R) | 22-36/37/38 |
| Gefahrensymbole | Xn,Xi |
| Sicherheitshinweise (S) | 26-36-37/39 |
| Gefahrenklasse | IRRITANTAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
3-Bromo-4-fluorobenzaldehyde can be used for pest control.