HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Chloro-4-iodoaniline
3-Chloro-4-iodo-phenylamine · 3-CHLORO-4-IODOANILINE · 3-Chloro-4-iodoaniline,98% · 3-Chloro-4-iodoaniline >3-Chloro-4-iodobenzenamine · 4-Amino-2-chloroiodobenzene · Benzenamine, 3-chloro-4-iodo- · 3-Chloro-4-iodoaniline, 95.0%(GC)
Identifikatoren & physikalische Daten
| CAS No. | 135050-44-1 |
|---|---|
| Summenformel | C6H5ClIN |
| Durchschnittliche Molmasse | 253,47 g/mol |
| Monoisotopische Masse | 252,91552484 g/mol |
| SMILES | Nc1ccc(I)c(Cl)c1 |
| InChIKey | ONZHMGRKWJMTDE-UHFFFAOYSA-N |
| PubChem CID | 282926 |
| EC No. | 603-892-5 |
| DTXSID | DTXSID00300451 |
Chemische & physikalische Eigenschaften
| XLogP | 2,5 |
|---|---|
| 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 | 65-70 °C |
| Siedepunkt | 312.8±27.0 °C(Predicted) |
| Dichte | 1.9011 (estimate) |
| Flammpunkt | 143℃ |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | soluble in Methanol |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | 2.75±0.10(Predicted) |
| Farbe | White to Amber to Dark purple |
| BRN | 3236464 |
| InChI | InChI=1S/C6H5ClIN/c7-5-3-4(9)1-2-6(5)8/h1-3H,9H2 |
| InChIKey | ONZHMGRKWJMTDE-UHFFFAOYSA-N |
| SMILES | C1(N)=CC=C(I)C(Cl)=C1 |
| CAS Datenbank | 135050-44-1(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (89.1%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P316, 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 46 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 (89.1%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN2811 |
| Zollcode | 29214200 |
| R-Sätze (R) | 36/37/38-20/21/22 |
| Gefahrensymbole | Xn,Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 36/37/39-26 |
| Gefahrenklasse | 6.1Acute Tox. 3 OralAcute Tox. 4 DermalAcute Tox. 4 InhalationEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
Anwendungen & Verwendung
Verwenden
3-Chloro-4-iodoaniline used as a intermediate for organic syntheses.