HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Chlor-4-fluorphenol
3-Chloro-4-fluorophe · 4-Fluoro-3-chlorophenol · 3-CHLORO-4-FLUOROPHENOL · Phenol, 3-chloro-4-fluoro- · 3-Chloro-4-fluorophenol98% · 3-Chloro-4-fluorophenol>3-Chloro-4-fluorophenol,99% · 3-Chloro-4-fluorophenol 98% · 1-Bromo-2,4,5-trifluorobezene
Identifikatoren & physikalische Daten
| CAS No. | 2613-23-2 |
|---|---|
| Summenformel | C6H4ClFO |
| Durchschnittliche Molmasse | 146,54 g/mol |
| Monoisotopische Masse | 145,99347065 g/mol |
| SMILES | Oc1ccc(F)c(Cl)c1 |
| InChIKey | ZQXLIXHVJVAPLW-UHFFFAOYSA-N |
| PubChem CID | 75790 |
| ChEBI | CHEBI:194666 |
| EC No. | 220-042-5 |
| DTXSID | DTXSID70180762 |
| Lokaler Name | 3-Chlor-4-fluorphenol |
Chemische & physikalische Eigenschaften
| XLogP | 2,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 99,1 |
| Schmelzpunkt | 38-40 °C (lit.) |
| Siedepunkt | 104 °C/11 mmHg (lit.) |
| Dichte | 1.3675 (estimate) |
| Flammpunkt | 228 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| pKa (Säurekonstante) | 9.01±0.18(Predicted) |
| Aggregatzustand | Crystalline Solid |
| Farbe | Beige to brownish |
| BRN | 3236443 |
| InChI | InChI=1S/C6H4ClFO/c7-5-3-4(9)1-2-6(5)8/h1-3,9H |
| InChIKey | ZQXLIXHVJVAPLW-UHFFFAOYSA-N |
| SMILES | C1(O)=CC=C(F)C(Cl)=C1 |
| CAS Datenbank | 2613-23-2(CAS DataBase Reference) |
| NIST chemische Informationen | 3-Chloro-4-fluorophenol(2613-23-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (14.6%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 48 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (14.6%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 2811 |
| Zollcode | 29081990 |
| R-Sätze (R) | 36/37/38-20/21/22 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-37/39-36/37/39 |
| Gefahrenklasse | 8Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
3-Chloro-4-fluorophenol post-translationally stabilizes survival motor neuron protein for treatment of spinal muscular atrophy.