HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Amino-3-(trifluoromethyl)benzoic acid
2-Amino-3-(trifL · 2-AMINO-3-(TRIFLU · BUTTPARK 22\07-94 · RARECHEM AL BO 1046 · 3-(TRIFLUOROMETHYL)ANTHRANILIC ACID · 2-Amino-3-trifluoromethyibenzoic acid · -Amino-3-(trifluoromethyl)benzoic acid · 2-Amino-3-(trifluoromethyl)benzoic acid
Identifikatoren & physikalische Daten
| CAS No. | 313-12-2 |
|---|---|
| Summenformel | C8H6F3NO2 |
| Durchschnittliche Molmasse | 205,13 g/mol |
| Monoisotopische Masse | 205,03506309 g/mol |
| SMILES | Nc1c(C(=O)O)cccc1C(F)(F)F |
| InChIKey | UNLVJVQEDSDPIN-UHFFFAOYSA-N |
| PubChem CID | 604569 |
| EC No. | 625-821-7 |
| DTXSID | DTXSID10345454 |
Chemische & physikalische Eigenschaften
| XLogP | 2,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 63,3 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 6 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 229 |
| Schmelzpunkt | 157-160 °C (lit.) |
| Siedepunkt | 296.9±40.0 °C(Predicted) |
| Dichte | 1.489±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Aggregatzustand | solid |
| pKa (Säurekonstante) | 4.51±0.10(Predicted) |
| BRN | 2844022 |
| Hauptanwendungen | peptide synthesis |
| InChI | 1S/C8H6F3NO2/c9-8(10,11)5-3-1-2-4(6(5)12)7(13)14/h1-3H,12H2,(H,13,14) |
| InChIKey | UNLVJVQEDSDPIN-UHFFFAOYSA-N |
| SMILES | Nc1c(cccc1C(F)(F)F)C(O)=O |
| CAS Datenbank | 313-12-2(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 49 reports by companies from 9 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 | 29224999 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36-37 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
A useful intermediate for the syntheses of antimicrobial benzoisothiazolones and dithiobis(benzamides).