HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Bromo-2-iodoaniline
AKOS BB-7878 · ASISCHEM T54343 · 4-Bromo-2-iodoaniline · 2-Iodine-4-bromoaniline · 4-Bromo-2-iodoaNAine, 97% · 4-Bromo-2-iodoaniline >4-Bromo-2-iodoaniline,97% · 4-Bromo-2-iodoaniline 97% · 4-bromo-2-iodo-benzenamine
Identifikatoren & physikalische Daten
| CAS No. | 66416-72-6 |
|---|---|
| Summenformel | C6H5BrIN |
| Durchschnittliche Molmasse | 297,92 g/mol |
| Monoisotopische Masse | 296,86500926 g/mol |
| SMILES | Nc1ccc(Br)cc1I |
| InChIKey | HHTYEQWCHQEJNV-UHFFFAOYSA-N |
| PubChem CID | 823934 |
| EC No. | 613-931-8 |
| DTXSID | DTXSID00356418 |
Chemische & physikalische Eigenschaften
| XLogP | 2,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 26 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 99,1 |
| Schmelzpunkt | 69-72 °C(lit.) |
| Siedepunkt | 297.9±30.0 °C(Predicted) |
| Dichte | 2.292±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,2-8°C |
| Löslichkeit | soluble in Methanol |
| pKa (Säurekonstante) | 1.83±0.10(Predicted) |
| Aggregatzustand | Powder |
| Farbe | Gray to purple |
| InChI | InChI=1S/C6H5BrIN/c7-4-1-2-6(9)5(8)3-4/h1-3H,9H2 |
| InChIKey | HHTYEQWCHQEJNV-UHFFFAOYSA-N |
| SMILES | C1(N)=CC=C(Br)C=C1I |
| CAS Datenbank | 66416-72-6(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 44 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 2811 6.1/PG 3 |
| Zollcode | 29214200 |
| R-Sätze (R) | 25-37/38-41-51/53 |
| Gefahrensymbole | T,N,Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36/37/39-45-61 |
| Gefahrenklasse | 6.1Acute Tox. 3 OralAquatic Chronic 2Eye Dam. 1Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | Ⅲ |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
Anwendungen & Verwendung
Verwenden
4-Bromo-2-iodoaniline may be used in the following:Preparation of quinolone derivatives.Synthesis of a resin-bound sulfonamide, which was used as a starting material for the preparation of 2,3,5-trisubstituted indoles.