4-Iodanilin
BENZENAMINE, 4-IODO- · P-IODOANILINE · 4-iodobenzenamine · 1-amino-4-iodobenzene · 4-IodoaniL · 4-LODANILINE · 4-iodo-anilin · 4-IODOANILINE
Identifikatoren & physikalische Daten
| CAS No. | 540-37-4 |
|---|---|
| Summenformel | C6H6IN |
| Durchschnittliche Molmasse | 219,02 g/mol |
| Monoisotopische Masse | 218,95449719 g/mol |
| SMILES | Nc1ccc(I)cc1 |
| InChIKey | VLVCDUSVTXIWGW-UHFFFAOYSA-N |
| PubChem CID | 10893 |
| ChEMBL | CHEMBL41790 |
| EC No. | 208-743-4 |
| DTXSID | DTXSID9060239 |
| Lokaler Name | 4-Iodanilin |
Chemische & physikalische Eigenschaften
| XLogP | 2,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 26 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 66,9 |
| Stoffklassen | Nitrogen Compounds -> Amines, Aromatic |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| LogP (Verteilungskoeffizient) | 2.34 |
| Dampfdruck | 0.00767 [mmHg] |
| Physical Description | White solid[Merck Index] Light brown crystalline powder[Alfa Aesar MSDS] |
| Schmelzpunkt | 61-63 °C(lit.) |
| Siedepunkt | 268.7±23.0 °C(Predicted) |
| Dichte | 1.8155 (estimate) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | H2O: slightly solubleSlightly soluble in water.Soluble in chloroform, methanol. |
| Aggregatzustand | Crystalline Powder or Needles |
| pKa (Säurekonstante) | 3.81(at 25℃) |
| Farbe | Beige to grayish-brown |
| Merck | 14,5027 |
| BRN | 774101 |
| InChI | 1S/C6H6IN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2 |
| InChIKey | VLVCDUSVTXIWGW-UHFFFAOYSA-N |
| SMILES | Nc1ccc(I)cc1 |
| CAS Datenbank | 540-37-4(CAS DataBase Reference) |
| NIST chemische Informationen | Benzenamine, 4-iodo-(540-37-4) |
| EPA chemische Informationen | Benzenamine, 4-iodo- (540-37-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (98.4%): 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 63 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Benzenamine, 4-iodo-4-Iodoaniline: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | Causes degenerative spinal cord changes, structural changes in peripheral nerve or sheath, dyspnea, cyanosis, and weight loss in acute oral studies of rats[RTECS] A skin and strong eye irritantMay induce methemoglobinemiaHarmful by inhalationToxic by ingestion and skin absorption[Alfa Aesar MSDS] |
| Hazard Classes and Categories | Acute Tox. 4 (98.4%) |
| Unerwünschte Wirkungen | Methemoglobinemia - The presence of increased methemoglobin in the bloodthe compound is classified as secondary toxic effect |
| F | 8 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | 2811 |
| Zollcode | 29214210 |
| RTECS-Nr. | BY3850000 |
| R-Sätze (R) | 22-36/37/38-20/21/22 |
| Gefahrensymbole | Xn,Xi |
| hazard_note | Harmful/Irritant |
| Sicherheitshinweise (S) |
Anwendungen & Verwendung
Verwenden
4-Iodoaniline is a iodine substituted aniline that is widely used as chemical intermediates in the manufacturing of pesticides, dyes and drugs. 4-Iodoaniline was shown to be a more potent nephrotoxica nt in vitro than other anilines.
Herstellung & Synthese
synthetische
4-Iodoaniline is obtained by the reaction of aniline and iodine in the presence of sodium bicarbonate. Add aniline and sodium bicarbonate to water and slowly add crushed iodine in stages with vigorous stirring. If the reaction solution is yellow, add a little sodium bisulfite to make it discolor, then filter and get the crude product. Then the product is recrystallized by ethanol to obtain 4-Iodoaniline.