HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Chloro-5-(trifluoromethyl)benzoic acid
TIMTEC-BB SBB003328 · RARECHEM AL BO 0356 · 2-CHLORO-5-(TRIFLUOROMETHYL)BENZOIC ACID · 2-chloro-5-(trifluoromethoxy)benzoic acid · 2-Chloro-5-(trifluoromethyl)benzoicacid98% · Benzoic acid, 2-chloro-5-(trifluoromethyl)- · 2-Chloro-5-(trifluoromethyl)benzoic acid 98% · 3-Carboxy-4-chlorobenzotrifluoride, 6-Chloro-alpha,alpha,alpha-trifluoro-m-toluic acid
Identifikatoren & physikalische Daten
| CAS No. | 657-06-7 |
|---|---|
| Summenformel | C8H4ClF3O2 |
| Durchschnittliche Molmasse | 224,56 g/mol |
| Monoisotopische Masse | 223,98519171 g/mol |
| SMILES | O=C(O)c1cc(C(F)(F)F)ccc1Cl |
| InChIKey | WLXRKCGYQAKHSJ-UHFFFAOYSA-N |
| PubChem CID | 688182 |
| EC No. | 629-974-0 |
| DTXSID | DTXSID20350817 |
Chemische & physikalische Eigenschaften
| XLogP | 3,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 37,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 229 |
| Schmelzpunkt | 93-96 °C (lit.) |
| Siedepunkt | 270.4±40.0 °C(Predicted) |
| Dichte | 1.523±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| pKa (Säurekonstante) | 2.45±0.25(Predicted) |
| InChI | InChI=1S/C8H4ClF3O2/c9-6-2-1-4(8(10,11)12)3-5(6)7(13)14/h1-3H,(H,13,14) |
| InChIKey | WLXRKCGYQAKHSJ-UHFFFAOYSA-N |
| SMILES | C(O)(=O)C1=CC(C(F)(F)F)=CC=C1Cl |
| CAS Datenbank | 657-06-7(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29163990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36/37/39-37 |
| Gefahrenklasse | IRRITANT |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
2-Chloro-5-(trifluoromethyl)benzoic acid may be used as surrogate standard to investigate the pesticide exposure and home contamination in urine and hand wipe samples collected from farmers.