HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Fluor-o-toluidin
2-AMINO-5-FLUOROTOLUENE · 4-Fluoro-2-methylbenzenamine · 4-fluorotoluidine · 4-FLUORO-O-TOLUIDINE · 2-Fluoro-o-toluidine · 4-Fluoro-2-methylani · o-Toluidine, 4-fluoro- · 6-Amino-3-fluorotoluene
Identifikatoren & physikalische Daten
| CAS No. | 452-71-1 |
|---|---|
| Summenformel | C7H8FN |
| Durchschnittliche Molmasse | 125,14 g/mol |
| Monoisotopische Masse | 125,06407742 g/mol |
| SMILES | Cc1cc(F)ccc1N |
| InChIKey | KMHLGVTVACLEJE-UHFFFAOYSA-N |
| PubChem CID | 67982 |
| EC No. | 207-208-2 |
| DTXSID | DTXSID6060008 |
| Lokaler Name | 4-Fluor-o-toluidin |
Chemische & physikalische Eigenschaften
| XLogP | 1,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 26 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 94 |
| Schmelzpunkt | 14.2°C |
| Siedepunkt | 90-92 °C/16 mmHg (lit.) |
| Dichte | 1.126 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.537(lit.) |
| Flammpunkt | 190 °F |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,2-8°C |
| pKa (Säurekonstante) | 4.51±0.10(Predicted) |
| Aggregatzustand | clear liquid |
| Farbe | Light yellow to Yellow to Orange |
| Wichte | 1.126 |
| BRN | 1931798 |
| InChI | 1S/C7H8FN/c1-5-4-6(8)2-3-7(5)9/h2-4H,9H2,1H3 |
| InChIKey | KMHLGVTVACLEJE-UHFFFAOYSA-N |
| SMILES | Cc1cc(F)ccc1N |
| CAS Datenbank | 452-71-1(CAS DataBase Reference) |
| NIST chemische Informationen | Benzenamine, 4-fluoro-2-methyl-(452-71-1) |
| EPA chemische Informationen | 4-Fluoro-2-methylaniline (452-71-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (98%): Harmful if swallowed [Warning Acute toxicity, oral]H311 (10.2%): Toxic in contact with skin [Danger Acute toxicity, dermal]H312 (89.8%): Harmful in contact with skin [Warning Acute toxicity, dermal]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H332 (98%): Harmful if inhaled [Warning Acute toxicity, inhalation]H335 (89.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]H373 (10.2%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]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 49 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (98%)Acute Tox. 3 (10.2%)Acute Tox. 4 (89.8%)Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (89.8%)STOT RE 2 (10.2%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | 2810 |
| Zollcode | 29214300 |
| RTECS-Nr. | CY0500000 |
| R-Sätze (R) | 20/21/22-36/37/38-23/24/25 |
| Gefahrensymbole | Xn,T,Xi |
| hazard_note | Toxic/Irritant |
| Sicherheitshinweise (S) | 26-36/37/39-45-36 |
| Gefahrenklasse | 6.1Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
4-Fluoro-2-methylaniline was used in the synthesis of 4-fluoro-N-[(E)-{7-methoxy-2-[4-(methylsulfanyl)phenyl]-1-benzofuran-5-yl}methylidene]-2-methylaniline.