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HCID 2734913Erstellt: 26. Oktober 2026
1,3-Bis(2,6-diisopropylphenyl)imidazolium chloride
IPr.HCl · 1,3-BIS(2,6-DIISOPROPYLPHENYL)IMIDAZOLIUM CHLORIDE · 1,3-bis(2,6-diisopropylphenyl)-1H-iMidazol-3-iuM chloride · 1,3-BIS(2,6-DI-I-PROPYLPHENYL)IMIDAZOLIUM CHLORIDE · 1H-Imidazolium, 1,3-bis[2,6-bis(1-methylethyl)phenyl]-, chloride (1:1) · ium ChL · 1,3-Bis(2,6-diisopropyL · VLOOKUP(C13,[1]Export!$D:$H,5,0)
https://huagongshe.com/de/chemical/2734913
Identifikatoren & physikalische Daten
| CAS No. | 250285-32-6 |
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| Summenformel | C27H37ClN2 |
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| Durchschnittliche Molmasse | 425 g/mol |
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| Monoisotopische Masse | 424,26452686 g/mol |
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| SMILES | CC(C)c1cccc(C(C)C)c1-n1cc[n+](-c2c(C(C)C)cccc2C(C)C)c1.[Cl-] |
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| InChIKey | AVJBQMXODCVJCJ-UHFFFAOYSA-M |
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| PubChem CID | 2734913 |
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| ChEMBL | CHEMBL5285330 |
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| EC No. | 627-434-9 |
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| DTXSID | DTXSID40370572 |
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Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 8,8 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 1 |
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| Frei drehbare Bindungen | 6 |
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| Schwere Atome | 30 |
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| Formalladung | 0 |
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| Komplexität | 421 |
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| Schmelzpunkt | 278 °C (dec.)(lit.) |
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| Lagerbedingungen | Inert atmosphere,Room Temperature |
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| Aggregatzustand | Powder |
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| Farbe | White, off-white or tan |
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| Löslichkeit | Slightly soluble in water. |
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| InChI | InChI=1S/C27H37N2.ClH/c1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8/h9-21H,1-8H31H/q+1/p-1 |
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| InChIKey | AVJBQMXODCVJCJ-UHFFFAOYSA-M |
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| SMILES | C1(N2C=C[N+](C3C(=CC=CC=3C(C)C)C(C)C)=C2)C(=CC=CC=1C(C)C)C(C)C.[Cl-] |
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| CAS Datenbank | 250285-32-6(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH300 (29.9%): Fatal if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 97 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Acute Tox. 2 (29.9%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| TSCA-Inventar-Status | No |
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| Zollcode | 29332900 |
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| R-Sätze (R) | 36/37/38 |
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| Gefahrensymbole | Xi |
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| Sicherheitshinweise (S) | 26-36 |
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| Lagerklasse | 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials |
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| Gefahrenklasse | Acute Tox. 2 OralAquatic Acute 1Aquatic Chronic 1Eye Dam. 1STOT SE 3 |
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Anwendungen & Verwendung
Verwenden
1,3-Bis(2,6-diisopropylphenyl)imidazolium chloride is also used in organic synthesis, as well as a pharmaceutical intermediate. 1,3-Bis(2,6-diisopropylphenyl)imidazolium Chloride is used as a reagent in the synthesis of NHC Copper(I) complexes bearing dipyridylamine ligands which exhibit interesting luminescent properties and are potential candidates for organic light-emitting diode applications. 1,3-Bis(2,6-diisopropylphenyl)imidazolium Chloride is also used as a reagent in the synthesis of 5,6-Dimethyl-9-oxo-9H-xanthene-4-acetic Acid Methyl Ester (D476595); the methyl ester derivative of the drug Vadimezan (V084950).
