1H-Imidazole, 1-(1-methylethyl)-

HCID 10176113CAS 4532-96-1

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

4532-96-11H-Imidazole, 1-(1-methylethyl)-1-(propan-2-yl)-1H-imidazoleDTXSID4074645RefChem:438248DTXCID6040402805-859-21-Isopropylimidazole1-Isopropyl-1H-imidazole1-propan-2-ylimidazoleMFCD00234239(methylethyl)imidazole
Weitere Namen anzeigen
-Isopropylimidazole1-Isopropylimidazole>1-(propan-2-yl)-1H-iMidazole1-(1-methylethyl)-1H-Imidazole
SCHEMBL86131SCHEMBL1396098SCHEMBL2500246SCHEMBL2990565SCHEMBL4267268SCHEMBL6104557SBB046689AKOS002677301

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

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

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

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

Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Hazard Classes and CategoriesFlam. Liq. 4 (33.3%);Acute Tox. 4 (33.3%);Skin Irrit. 2 (100%);Eye Dam. 1 (33.3%);Eye Irrit. 2A (66.7%);STOT SE 3 (33.3%);Aquatic Chronic 3 (33.3%)

Regulatorische Informationen

Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Sicherheitsdaten

tsca
TSCA listed
hs_code
2933998090

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information1H-Imidazole, 1-(1-methylethyl)-: ACTIVE
Anwendungen · 1 Eintrag

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].

Anbieter50 Anbieter

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
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