HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Fluor-6-nitrotoluol
2-NITRO-6-FLUO · 2-Fluoro-6-nitrotolu · 2-Fluoro-6-nitrotluene · 2-fluoro-6-Nitrotoluol · Irbinitinib Impurity 8 · Irbinitinib Impurity 9 · 2-FLUORO-6-NITROTOLUENE · 2-NITRO-6-FLUOROTOLUENE
Identifikatoren & physikalische Daten
| CAS No. | 769-10-8 |
|---|---|
| Summenformel | C7H6FNO2 |
| Durchschnittliche Molmasse | 155,13 g/mol |
| Monoisotopische Masse | 155,03825665 g/mol |
| SMILES | Cc1c(F)cccc1[N+](=O)[O-] |
| InChIKey | GXPIVRKDWZKIKZ-UHFFFAOYSA-N |
| PubChem CID | 69854 |
| EC No. | 212-203-3 |
| DTXSID | DTXSID50227689 |
| Lokaler Name | 2-Fluor-6-nitrotoluol |
Chemische & physikalische Eigenschaften
| XLogP | 2,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 45,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 157 |
| Schmelzpunkt | 6.5-7 °C (lit.) |
| Siedepunkt | 97 °C/11 mmHg (lit.) |
| Dichte | 1.27 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.523(lit.) |
| Flammpunkt | 192 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | clear liquid |
| Farbe | Light yellow to Amber to Dark green |
| Wichte | 1.270 |
| BRN | 2361978 |
| InChI | InChI=1S/C7H6FNO2/c1-5-6(8)3-2-4-7(5)9(10)11/h2-4H,1H3 |
| InChIKey | GXPIVRKDWZKIKZ-UHFFFAOYSA-N |
| SMILES | C1(F)=CC=CC([N+]([O-])=O)=C1C |
| CAS Datenbank | 769-10-8(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (97.9%): 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 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (97.9%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 2811 |
| Zollcode | 29049090 |
| R-Sätze (R) | 20/21/22-36/37/38 |
| Gefahrensymbole | Xn,Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36-28A-24/25 |
| Gefahrenklasse | 6.1Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
2-Fluoro-6-nitrotoluene has been used in the preparation of 4-fluoroindole via Leimgruber-Batcho procedure.