HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-Phenylimidazole
1-PHENYL-1H-IMIDAZOLE · N-Phenylimidazole · 1-PHENYLIMIDAZOLE · 1-Phenylimidazole>1-Phenylimidazole 97% · 1-Phenylimidazole,97% · 1-Phenylimidazole ,98% · 1H-Imidazole, 1-phenyl- · 1-Phenyl-1H-imidazole 98%
Identifikatoren & physikalische Daten
| CAS No. | 7164-98-9 |
|---|---|
| Summenformel | C9H8N2 |
| Durchschnittliche Molmasse | 144,17 g/mol |
| Monoisotopische Masse | 144,06874826 g/mol |
| SMILES | c1ccc(-n2ccnc2)cc1 |
| InChIKey | SEULWJSKCVACTH-UHFFFAOYSA-N |
| PubChem CID | 81595 |
| ChEMBL | CHEMBL275066 |
| ChEBI | CHEBI:232094 |
| EC No. | 627-543-1 |
| DTXSID | DTXSID10221885 |
Chemische & physikalische Eigenschaften
| XLogP | 1,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 119 |
| Löslichkeit | 19.7 [ug/mL] (The mean of the results at pH 7.4)Slightly soluble in water. |
| Schmelzpunkt | 13 °C (lit.) |
| Siedepunkt | 142 °C/15 mmHg (lit.) |
| Dichte | 1.14 g/mL at 25 °C (lit.) |
| Brechungsindex | 1.599-1.601 |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| pKa (Säurekonstante) | 5.45±0.10(Predicted) |
| Aggregatzustand | Liquid |
| Farbe | Clear light yellow to yellow |
| Wichte | 1.140 |
| BRN | 112356 |
| InChI | 1S/C9H8N2/c1-2-4-9(5-3-1)11-7-6-10-8-11/h1-8H |
| InChIKey | SEULWJSKCVACTH-UHFFFAOYSA-N |
| SMILES | c1ccc(cc1)-n2ccnc2 |
| CAS Datenbank | 7164-98-9(CAS DataBase Reference) |
| NIST chemische Informationen | 1H-Imidazole, 1-phenyl-(7164-98-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (87%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (87%): Harmful in contact with skin [Warning Acute toxicity, dermal]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H332 (87%): Harmful if inhaled [Warning Acute toxicity, inhalation]H335 (89.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, 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.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. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (87%)Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (89.1%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29332900 |
| R-Sätze (R) | 20/21/22-36/37/38 |
| Gefahrensymbole | Xn,Xi |
| Sicherheitshinweise (S) | 26-37/39 |
| Gefahrenklasse | IRRITANTAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
1-Phenylimidazole is a suitable reagent used to investigate its effect on the citrulline formation by bovine brain nitric-oxide synthase.