HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Iodanilin
3-lodoaniline · M-IODOANILINE · 3-Iodoailine · 3-IODOANILINE · m-iodo-anilin · Iodoaniline,98% · Aniline, m-iodo- · 3-Iodoaniline>3-iodobenzenamine
Identifikatoren & physikalische Daten
| CAS No. | 626-01-7 |
|---|---|
| Summenformel | C6H6IN |
| Durchschnittliche Molmasse | 219,02 g/mol |
| Monoisotopische Masse | 218,95449719 g/mol |
| SMILES | Nc1cccc(I)c1 |
| InChIKey | FFCSRWGYGMRBGD-UHFFFAOYSA-N |
| PubChem CID | 12271 |
| EC No. | 210-922-7 |
| DTXSID | DTXSID4060812 |
| Lokaler Name | 3-Iodanilin |
Chemische & physikalische Eigenschaften
| XLogP | 1,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 26 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 74,9 |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| Schmelzpunkt | 21-24 °C (lit.) |
| Siedepunkt | 145-146 °C/15 mmHg (lit.) |
| Dichte | 1.821 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.682(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | liquid (clear) |
| pKa (Säurekonstante) | 3.58(at 25℃) |
| Wichte | 1.820 |
| Farbe | clear yellow |
| Löslichkeit | Insoluble in water. |
| BRN | 636058 |
| InChI | 1S/C6H6IN/c7-5-2-1-3-6(8)4-5/h1-4H,8H2 |
| InChIKey | FFCSRWGYGMRBGD-UHFFFAOYSA-N |
| SMILES | Nc1cccc(I)c1 |
| CAS Datenbank | 626-01-7(CAS DataBase Reference) |
| NIST chemische Informationen | 3-I-C6H4NH2(626-01-7) |
| EPA chemische Informationen | m-Iodoaniline (626-01-7) |
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 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Benzenamine, 3-iodo-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| F | 8 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | 2810 |
| Zollcode | 29214210 |
| RTECS-Nr. | BY3750000 |
| R-Sätze (R) | 20/21/22-37/38-36/37/38 |
| Gefahrensymbole | Xn,Xi |
| Sicherheitshinweise (S) | 36/37-36/37/39-26-36 |
| Gefahrenklasse | 6.1(b)Acute Tox. 4 OralSkin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
3-Iodoanilineis used as Anilines, Aromatic Amines and Nitro Compounds.