HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Iodobenzylamine
(3-iodophenyl)MethanaMine · 3-IODOBENZYLAE · AURORA KA-7711 · m-Iodobenzylamine · 3-IODOBENZYLAMINE · RARECHEM AL BW 0705 · 3-Iodobenzylamine,97% · 3-Iodobenzylamine 96%
Identifikatoren & physikalische Daten
| CAS No. | 696-40-2 |
|---|---|
| Summenformel | C7H8IN |
| Durchschnittliche Molmasse | 233,05 g/mol |
| Monoisotopische Masse | 232,97014726 g/mol |
| SMILES | NCc1cccc(I)c1 |
| InChIKey | LQLOGZQVKUNBRX-UHFFFAOYSA-N |
| PubChem CID | 97012 |
| ChEMBL | CHEMBL39635 |
| EC No. | 625-616-2 |
| DTXSID | DTXSID80219870 |
Chemische & physikalische Eigenschaften
| XLogP | 2 |
|---|---|
| Polarare Oberfläche (TPSA) | 26 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 85 |
| Schmelzpunkt | 248-249 °C(Solv: N,N-dimethylformamide (68-12-2)) |
| Siedepunkt | 132 °C/8 mmHg (lit.) |
| Dichte | 1.748 g/mL at 25 °C (lit.) |
| Brechungsindex | 1.638-1.64 |
| Flammpunkt | >230 °F |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2–8 °C |
| pKa (Säurekonstante) | 8.79±0.10(Predicted) |
| Aggregatzustand | Liquid |
| Farbe | Clear light yellow |
| Löslichkeit | Difficult to mix in water. |
| BRN | 2689602 |
| InChI | InChI=1S/C7H8IN/c8-7-3-1-2-6(4-7)5-9/h1-4H,5,9H2 |
| InChIKey | LQLOGZQVKUNBRX-UHFFFAOYSA-N |
| SMILES | C1(CN)=CC=CC(I)=C1 |
| CAS Datenbank | 696-40-2(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (15.2%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P203, P233, P260, P261, P264, P264+P265, P271, P272, P280, P284, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P318, P319, P321, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P363, P403, 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 | Skin Corr. 1C (15.2%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 2735 |
| Zollcode | 29214990 |
| R-Sätze (R) | 36/37/38-42/43-63 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 23-26-36/37/39 |
| Gefahrenklasse | 8Eye Irrit. 2Repr. 2Resp. Sens. 1Skin Irrit. 2Skin Sens. 1STOT SE 3 |
| Verpackungsgruppe | II |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
It is a pharmaceutical intermediate.