HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Chloro-5-fluorophenol
3-Chloro-5-fluorophenol · Phenol, 3-chloro-5-fluoro- · 3-Chloro-5-fluorophenol98% · 3-Chloro-5-fluorophenol 98% · Phenol, 3-chloro-5-fluoro- (9CI) · 3-Chloro-4-fluoro-α,α,α-trifluorotoluene · 3-CHLORO-5-FLUOROPHENOL ISO 9001：2015 REACH
Identifikatoren & physikalische Daten
| CAS No. | 202982-70-5 |
|---|---|
| Summenformel | C6H4ClFO |
| Durchschnittliche Molmasse | 146,54 g/mol |
| Monoisotopische Masse | 145,9934706 g/mol |
| SMILES | Oc1cc(F)cc(Cl)c1 |
| InChIKey | ZMFBYTAAMHWQHD-UHFFFAOYSA-N |
| PubChem CID | 2773713 |
| EC No. | 606-511-0 |
| DTXSID | DTXSID10378661 |
Chemische & physikalische Eigenschaften
| XLogP | 3,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 99 |
| Siedepunkt | 206.0±20.0 °C(Predicted) |
| Dichte | 1.408±0.06 g/cm3(Predicted) |
| Brechungsindex | 1.537 |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| pKa (Säurekonstante) | 8.01±0.10(Predicted) |
| Aggregatzustand | liquid |
| Farbe | Clear |
| Löslichkeit | Immiscible with water. |
| CAS Datenbank | 202982-70-5(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302+H312 (11.1%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oralacute toxicity, dermal]H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (66.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]H314 (77.8%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H315 (22.2%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (22.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (22.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]H411 (77.8%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 9 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 | Acute Tox. 4 (66.7%)Skin Corr. 1B (77.8%)Skin Irrit. 2 (22.2%)Eye Irrit. 2 (22.2%)STOT SE 3 (22.2%)Aquatic Chronic 2 (77.8%) |
| UN-Transportnummer | UN3265 |
| Zollcode | 2908190090 |
| R-Sätze (R) | 20/21/22-36/37/38-22 |
| Gefahrensymbole | Xi,Xn |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36/37/39 |
| Gefahrenklasse | 8 |
Anwendungen & Verwendung
Verwenden
3-Chloro-5-fluorophenol is used as an intermediate in organic synthesis. It plays an important role in the preparation of substituted amides as antagonists and/or inverse agonists of cannabinoid-1 receptor, substituted N-(arylmethyl)aryloxy arylcarboxamide and heteroarylcarboxamide antagonists for the PGE2 receptor EP4 for the treatment of pain, inflammation, osteoarthritis, and rheumatoid arthritis.