HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-Iod-4-nitrobenzol
4-IODONITROBENZENE · P-IODONITROBENZENE · P-NITROIODOBENZENE · 4-Nitroiodobenzene · 1-lodo-4-nitrobenzene · NSC 9794 · AURORA KA-6698 · IODONITROBENZENE
Identifikatoren & physikalische Daten
| CAS No. | 636-98-6 |
|---|---|
| Summenformel | C6H4INO2 |
| Durchschnittliche Molmasse | 249,01 g/mol |
| Monoisotopische Masse | 248,92868 g/mol |
| SMILES | O=[N+]([O-])c1ccc(I)cc1 |
| InChIKey | SCCCFNJTCDSLCY-UHFFFAOYSA-N |
| PubChem CID | 12495 |
| EC No. | 211-272-7 |
| DTXSID | DTXSID7060914 |
| Lokaler Name | 1-Iod-4-nitrobenzol |
Chemische & physikalische Eigenschaften
| XLogP | 2,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 45,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 126 |
| Stoffklassen | Nitrogen Compounds -> Nitros, Aromatic |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| Physical Description | Yellow powder[Alfa Aesar MSDS] |
| Schmelzpunkt | 171-173 °C(lit.) |
| Siedepunkt | 289 °C772 mm Hg(lit.) |
| Dichte | 1.8090 |
| Flammpunkt | 100 °C |
| Lagerbedingungen | Keep Cold |
| Aggregatzustand | Powder |
| Farbe | Brownish |
| Löslichkeit | insoluble |
| BRN | 1100378 |
| Stabilität | Stable. Incompatible with strong bases, strong oxidizing agents. |
| InChI | InChI=1S/C6H4INO2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H |
| InChIKey | SCCCFNJTCDSLCY-UHFFFAOYSA-N |
| SMILES | C1(I)=CC=C([N+]([O-])=O)C=C1 |
| CAS Datenbank | 636-98-6(CAS DataBase Reference) |
| NIST chemische Informationen | Benzene, 1-iodo-4-nitro-(636-98-6) |
| EPA chemische Informationen | Benzene, 1-iodo-4-nitro- (636-98-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): 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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Gefahrenübersicht | A skin and strong eye irritantMay induce methemoglobinemiaHarmful by inhalationToxic by ingestion and skin absorption[Alfa Aesar MSDS] See 1-Iodo-2-nitrobenzene. See 1-Bromo-4-nitrobenzene. |
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Unerwünschte Wirkungen | Methemoglobinemia - The presence of increased methemoglobin in the bloodthe compound is classified as secondary toxic effect |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2811 6.1/PG 2 |
| Zollcode | 29049090 |
| R-Sätze (R) | 20/21/22-36/37/38-36-33 |
| Gefahrensymbole | Xn,Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-37/39-36/37/39-36 |
| Gefahrenklasse | IRRITANT, KEEP COLD, LIGHT SENSITIVEAcute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
1-Iodo-4-nitrobenzene is an important raw material and intermediate used in organic synthesis, pharmaceuticals agrochemicals and dyestuff fields.