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2-Phenylbenzimidazol
2-phenyl-1H-benzo[d]imidazole · 2-PHENYL-1H-BENZIMIDAZOLE · 2PB · G 570 · gainex · phenzidol · phenzidole · Phendidole
Identifikatoren & physikalische Daten
| CAS No. | 716-79-0 |
|---|---|
| Summenformel | C13H10N2 |
| Durchschnittliche Molmasse | 194,23 g/mol |
| Monoisotopische Masse | 194,08439832 g/mol |
| SMILES | c1ccc(-c2nc3ccccc3[nH]2)cc1 |
| InChIKey | DWYHDSLIWMUSOO-UHFFFAOYSA-N |
| PubChem CID | 12855 |
| ChEMBL | CHEMBL153535 |
| EC No. | 211-939-2 |
| DTXSID | DTXSID5052460 |
| Lokaler Name | 2-Phenylbenzimidazol |
Chemische & physikalische Eigenschaften
| XLogP | 3,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 28,7 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 211 |
| SpringerMaterials Properties | Chemical shift |
| LogP (Verteilungskoeffizient) | 3.3 |
| Löslichkeit | 21.9 [ug/mL] (The mean of the results at pH 7.4)DMSO (Slightly), Methanol (Slightly)Slightly soluble in water. |
| Collision Cross Section | 142.6 Ų [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID5052460] |
| Schmelzpunkt | 293-296 °C (lit.) |
| Siedepunkt | 320.68°C (rough estimate) |
| Dichte | 1.1579 (rough estimate) |
| Brechungsindex | 1.5014 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 5.23(at 25℃) |
| Farbe | Needles from water or plates from alc |
| Merck | 14,7274 |
| BRN | 7087 |
| InChI | InChI=1S/C13H10N2/c1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13/h1-9H,(H,14,15) |
| InChIKey | DWYHDSLIWMUSOO-UHFFFAOYSA-N |
| SMILES | C1(C2=CC=CC=C2)NC2=CC=CC=C2N=1 |
| CAS Datenbank | 716-79-0(CAS DataBase Reference) |
| EPA chemische Informationen | 2-Phenylbenzimidazole (716-79-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 2.4% (1 of 41) of reports.DangerH302 (95.1%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: 1H-Benzimidazole, 2-phenyl- |
| Hazard Classes and Categories | Acute Tox. 4 (95.1%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29332900 |
| RTECS-Nr. | DE0360000 |
| R-Sätze (R) | 22-37/38-41-36/37/38 |
| Toxizität | LD50 ipr-mus: 167 mg/kg FRPSAX 33,516,78 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 26-39 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
2-Phenylbenzimidazole is used as pharmaceutical intermediate.