HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
7-Fluoro-1H-indole
7-FLUORO-1H-INDOLE · uoro-1H-indoL · 7-Flouroindole · 7-ETHOXYINDOLE · 7-FLUOROINDOLE · 7-Fluoroindole>BUTTPARK 24\07-35 · 7-Fluoroindole,97% · 7-Fluoroindole,98%
Identifikatoren & physikalische Daten
| CAS No. | 387-44-0 |
|---|---|
| Summenformel | C8H6FN |
| Durchschnittliche Molmasse | 135,14 g/mol |
| Monoisotopische Masse | 135,04842741 g/mol |
| SMILES | Fc1cccc2cc[nH]c12 |
| InChIKey | XONKJZDHGCMRRF-UHFFFAOYSA-N |
| PubChem CID | 2774504 |
| ChEMBL | CHEMBL6147011 |
| EC No. | 640-248-2 |
| DTXSID | DTXSID60379062 |
Chemische & physikalische Eigenschaften
| XLogP | 2,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 15,8 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 126 |
| Schmelzpunkt | 61 °C |
| Siedepunkt | 258.0±13.0 °C(Predicted) |
| Dichte | 1.273±0.06 g/cm3(Predicted) |
| Flammpunkt | >110° |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Soluble in methanol. (almost transparency) |
| pKa (Säurekonstante) | 15.55±0.30(Predicted) |
| Aggregatzustand | powder to crystal |
| Farbe | White to Light yellow to Light orange |
| BRN | 114740 |
| InChI | InChI=1S/C8H6FN/c9-7-3-1-2-6-4-5-10-8(6)7/h1-5,10H |
| InChIKey | XONKJZDHGCMRRF-UHFFFAOYSA-N |
| SMILES | N1C2=C(C=CC=C2F)C=C1 |
| CAS Datenbank | 387-44-0(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (61.9%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+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 63 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (61.9%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29339900 |
| R-Sätze (R) | 36/37/38-41-37/38-22 |
| Gefahrensymbole | Xi,Xn |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36-39 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
7-Fluoroindole is a reagent used in chemical synthesis. It has been used to synthesize antiviral compounds against Pseudomonas aeruginosa and Staphylococcus aureus along with creation of immunomodulators. It is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuffs.