HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Fluor-o-toluidin
3-FLUORO-O-TOLUIDINE · 3-Fluoro-2-methylani · 6-AMINO-2-FLUOROTOLUENE · 2-AMINO-6-FLUOROTOLUENE · 2-METHYL-3-FLUOROANILINE · 3-FLUORO-2-METHYLANILINE · 3-Fluoro-2-methylaniline99% · 3-Fluoro-2-methylaniline>3-Fluoro-2-methylaniline 99%
Identifikatoren & physikalische Daten
| CAS No. | 443-86-7 |
|---|---|
| Summenformel | C7H8FN |
| Durchschnittliche Molmasse | 125,14 g/mol |
| Monoisotopische Masse | 125,06407748 g/mol |
| SMILES | Cc1c(N)cccc1F |
| InChIKey | SLDLVGFPFFLYBM-UHFFFAOYSA-N |
| PubChem CID | 285553 |
| EC No. | 207-142-4 |
| DTXSID | DTXSID20196111 |
| Lokaler Name | 3-Fluor-o-toluidin |
Chemische & physikalische Eigenschaften
| XLogP | 1,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 26 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 94,9 |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
| Schmelzpunkt | 7 °C (lit.) |
| Siedepunkt | 89-91 °C/15 mmHg (lit.) |
| Dichte | 1.099 g/mL at 25 °C (lit.) |
| Brechungsindex | 1.542-1.544 |
| Flammpunkt | 86 °C |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Löslichkeit | Chloroform, Methanol (Slightly) |
| Aggregatzustand | Oil |
| pKa (Säurekonstante) | 3.44±0.10(Predicted) |
| Farbe | Pale Yellow to Dark Red |
| Wichte | 1.099 |
| Stabilität | Air Sensitive |
| InChI | InChI=1S/C7H8FN/c1-5-6(8)3-2-4-7(5)9/h2-4H,9H2,1H3 |
| InChIKey | SLDLVGFPFFLYBM-UHFFFAOYSA-N |
| SMILES | C1(N)=CC=CC(F)=C1C |
| CAS Datenbank | 443-86-7(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (97.9%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, 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 8 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 | 2810 |
| Zollcode | 29214300 |
| R-Sätze (R) | 36/37/38-23/24/25-20/21/22 |
| Gefahrensymbole | T,Xi,Xn |
| hazard_note | Toxic/Irritant |
| Sicherheitshinweise (S) | 45-36/37/39-26-36/37-36 |
| Gefahrenklasse | 6.1Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
3-Fluoro-2-methylaniline was used in the synthesis of 2-amino-1,7,9-trimethylimidazo[4,5-g]quinoxaline.