2-Isopropyl-1H-imidazol

1H-Imidazole, 2-(1-methylethyl)-

HCID 123457CAS 36947-68-9

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Grundinformationen

Standard-SMILES: CC(C)c1ncc[nH]1
InChIKey: FUOZJYASZOSONT-UHFFFAOYSA-N
Summenformel: C6H10N2
Durchschnittliche Molmasse: 110,16 g/mol
Monoisotopische Masse: 110,08439832

Namen und Bezeichner

Bevorzugter Name: 1H-Imidazole, 2-(1-methylethyl)-
IUPAC: 2-propan-2-yl-1H-imidazole
Lokaler Name: 2-Isopropyl-1H-imidazol
Englischer Name: 2-Isopropylimidazole
Summenformel: C6H10N2
Molmasse: 110.16

Namen und Synonyme

2-Isopropylimidazole36947-68-92-Isopropyl-1H-imidazole1H-Imidazole, 2-(1-methylethyl)-A92TUY97G2EINECS 253-286-6DTXSID1068013RefChem:438271DTXCID60392692-propan-2-yl-1H-imidazole2-(propan-2-yl)-1H-imidazoleMFCD00014486

Weitere Namen anzeigen

N-Isopropylimdazole2-lsopropylimidazole2-Isopropylglyoxaline2-Isopropylimidazole>2-Isopropylimidazole 98%2-Isopropylimidazole,97%2-Isopropylimidazole ,99%

2-isopropyl imidazole2-Isopropyl-1H-imidazole #2-(1-methylethyl)-1H-imidazoleZ3352432962-IsopropylimdazoleGEMIFIOXACINMESYLATEUNII-A92TUY97G22-isopropylimidazol

Datenbank-Bezeichner

CAS: 36947-68-9
PubChem CID: 123457
DTXSID: DTXSID1068013
UNII: A92TUY97G2
EC Number: 253-286-6
Nikkaji: J150.752D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,2
Polarare Oberfläche (TPSA): 28,7 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 8
Formalladung: 0
Komplexität: 70,9

Experimentelle und physikochemische Eigenschaften

Physical DescriptionLiquid

Physikochemische Eigenschaften

Schmelzpunkt: 129 · 129-131 °C (lit.)
Siedepunkt: 256 · 256-260 °C (lit.)
Dichte: 0.9894 · 0.9894 (rough estimate)
Brechungsindex: 1.5 · 1.5000 (estimate)
Flammpunkt: 256 · 256-260°C
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: Chloroform, Methanol
pka: 14.3 · 14.30±0.10(Predicted)
Aggregatzustand: Powder
Farbe: White to yellow to light brown
BRN: 107804 · 107804
InChI: 1S/C6H10N2/c1-5(2)6-7-3-4-8-6/h3-5H,1-2H3,(H,7,8)
InChIKey: FUOZJYASZOSONT-UHFFFAOYSA-N
SMILES: CC(C)c1ncc[nH]1
CAS Datenbank: 36947 · 36947-68-9(CAS DataBase Reference)
NIST chemische Informationen: 2 · 2-Isopropylimidazole(36947-68-9)
EPA chemische Informationen: 1 H-Imidazole, · 1H-Imidazole, 2-(1-methylethyl)- (36947-68-9)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 105 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

1H-Imidazole, 2-(1-methylethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1H-Imidazole, 2-(1-methylethyl)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

1H-Imidazole, 2-(1-methylethyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
hs_code: 29332900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Verwendung und Herstellung

U.S. Production2023: 50,000 - <250,000 lb

Industry UsesIntermediate

General Manufacturing Information · 2 Einträge

All Other Chemical Product and Preparation Manufacturing

1H-Imidazole, 2-(1-methylethyl)-: ACTIVE

Anwendungen

Verwenden2-Isopropylimidazole is a imidazole based compound, classified as a diazole and as an alkaloid. 2-Isopropylimidazole was investigated in animal studies as a new bone imaging agent.