HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 76598Erstellt: 26. Oktober 2026
α-Iod-p-nitrotoluol
4-Nitrobenzyl iodide · p-Nitrobenzyl iodide · α-iodo-p-nitrotoluene · 4-NitrobenzylIodide,>99% · ALPHA-IODO-4-NITROTOLUENE · alpha-iodo-p-nitrotoluene · 1-Iodomethyl-4-nitrobenzene · 4-(Iodomethyl)-1-nitrobenzene
https://huagongshe.com/de/chemical/76598
Identifikatoren & physikalische Daten
| CAS No. | 3145-86-6 |
|---|
| Summenformel | C7H6INO2 |
|---|
| Durchschnittliche Molmasse | 263,03 g/mol |
|---|
| Monoisotopische Masse | 262,94432643 g/mol |
|---|
| SMILES | O=[N+]([O-])c1ccc(CI)cc1 |
|---|
| InChIKey | INKNHBKFSPIMKS-UHFFFAOYSA-N |
|---|
| PubChem CID | 76598 |
|---|
| EC No. | 221-557-8 |
|---|
| DTXSID | DTXSID60185367 |
|---|
| Lokaler Name | α-Iod-p-nitrotoluol |
|---|
Chemische & physikalische Eigenschaften
| XLogP | 3,2 |
|---|
| Polarare Oberfläche (TPSA) | 45,8 |
|---|
| H-Brücken-Donoren | 0 |
|---|
| H-Brücken-Akzeptoren | 2 |
|---|
| Frei drehbare Bindungen | 1 |
|---|
| Schwere Atome | 11 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 138 |
|---|
| Schmelzpunkt | 124 °C |
|---|
| Siedepunkt | 327.5±25.0 °C(Predicted) |
|---|
| Dichte | 1.928±0.06 g/cm3(Predicted) |
|---|
| Aggregatzustand | crystalline powder |
|---|
| Farbe | Pale cream |
|---|
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
|---|
| Zollcode | 2904990090 |
|---|
