HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Iodanisol
1-IODO-3-METHOXYBENZENE · M-IODOANISOLE · 3-METHOXYIODOBENZENE · NSC 60726 · Bis-(6α3-IODOANISOLE · 3-lodoanisole · Anisole, m-iodo- · 3-Iodoanisole>3-Iodoanisole 98%
Identifikatoren & physikalische Daten
| CAS No. | 766-85-8 |
|---|---|
| Summenformel | C7H7IO |
| Durchschnittliche Molmasse | 234,03 g/mol |
| Monoisotopische Masse | 233,95416284 g/mol |
| SMILES | COc1cccc(I)c1 |
| InChIKey | RSHBAGGASAJQCH-UHFFFAOYSA-N |
| PubChem CID | 69839 |
| EC No. | 212-173-1 |
| DTXSID | DTXSID6061105 |
| Lokaler Name | 3-Iodanisol |
Chemische & physikalische Eigenschaften
| XLogP | 2,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 9,2 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 85 |
| SpringerMaterials Properties | Molecular structure |
| Schmelzpunkt | 94 °C |
| Siedepunkt | 244-245 °C (lit.) |
| Dichte | 1.965 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.613(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Aggregatzustand | Liquid |
| Wichte | 1.965 |
| Farbe | Clear yellow |
| Löslichkeit | Soluble in chloroform, alcohol, ether. Insoluble in water. |
| BRN | 1858896 |
| InChI | 1S/C7H7IO/c1-9-7-4-2-3-6(8)5-7/h2-5H,1H3 |
| InChIKey | RSHBAGGASAJQCH-UHFFFAOYSA-N |
| SMILES | COc1cccc(I)c1 |
| CAS Datenbank | 766-85-8(CAS DataBase Reference) |
| NIST chemische Informationen | 3-Iodoanisole(766-85-8) |
| EPA chemische Informationen | Benzene, 1-iodo-3-methoxy- (766-85-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (89.1%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 46 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (89.1%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29093090 |
| R-Sätze (R) | 22-36 |
| Gefahrensymbole | Xn,Xi |
| hazard_note | Light Sensitive |
| Sicherheitshinweise (S) | 26-24/25 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Acute Tox. 4 OralEye Irrit. 2 |
Anwendungen & Verwendung
Verwenden
3-Iodoanisole is used to produce 3,3'-Dimethoxy-biphenyl. It can be used in agrochemical, pharmaceutical and dyestuff field.