Grundinformationen
- Standard-SMILES
CC(C)n1ccnc1- InChIKey
IPIORGCOGQZEHO-UHFFFAOYSA-N- Summenformel
- C6H10N2
- Durchschnittliche Molmasse
- 110,16 g/mol
- Monoisotopische Masse
- 110,08439833
Namen und Bezeichner
- Bevorzugter Name
- 1H-Imidazole, 1-(1-methylethyl)-
- IUPAC
- 1-propan-2-ylimidazole
- Englischer Name
- 1-Isopropylimidazole
- Summenformel
- C6H10N2
- Molmasse
- 110.16
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
4532-96-1- PubChem CID
- 10176113
- DTXSID
DTXSID4074645- EC Number
- 805-859-2
- Nikkaji
- J599.121H
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,6
- Polarare Oberfläche (TPSA)
- 17,8 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 8
- Formalladung
- 0
- Komplexität
- 70
Physikochemische Eigenschaften
- Siedepunkt
- 104 °C/7mmHg · 104°C/7mmHg(lit.)
- Dichte
- 0.97 · 0.97
- Brechungsindex
- 1.48 to · 1.4800 to 1.4840
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 7.15 · 7.15±0.20(Predicted)
- InChI
- InChI=1S/C6H10N2/c1-6(2)8-4-3-7-5-8/h3-6H,1-2H3
- InChIKey
- IPIORGCOGQZEHO-UHFFFAOYSA-N
- SMILES
- C1N(C(C)C)C=CN=1
- CAS Datenbank
- 4532 · 4532-96-1
- EPA chemische Informationen
- 1 H-Imidazole, · 1H-Imidazole, 1-(1-methylethyl)- (4532-96-1)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H227 (33.3%): Combustible liquid [Warning Flammable liquids];H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H318 (33.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (33.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H412 (33.3%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P210, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Regulatorische Informationen
Sicherheitsdaten
- tsca
- TSCA listed
- hs_code
- 2933998090
Chemie und Industrie
Verwendung und Herstellung
Anwendungen
Verwenden1-isopropylimidazole (ipim) and 1-phenylimidazole (phim) are derivatives of Antimicrobially inactive imidazole. They could be used for complexation with gold(III) and corresponding complexes [AuCl3(im)], [AuCl3(ipim)] and [AuCl3(phim)] were used as model compounds for the synthesis and structural characterization of analogous gold complexes, [AuCl3(ctz)], [AuCl3(ecz)] [AuCl3(tcz)] and [AuCl3(vcz)], containing clinically used antifungal azoles, clotrimazole (ctz), econazole (ecz), tioconazole (tcz) and voriconazole (vcz)[1].
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