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HCID 70840Erstellt: 23. Oktober 2026
3,5-Diphenyl-1H-pyrazol
3,5-DIPHENYL-1H-PYRAZOLE · 3,5-Diphenylpyrazole · Pyrazole,3,5-diphenyl- · Pyrazole, 3,5-diphenyl- · 3,5-diphenyl-1h-pyrazol · 3,5-Diphenylpyrazole>3,5-DIPHENYLPYRAZOLE 99% · 3,5-Diphenylpyrazole,99% · 1H-Pyrazole,3,5-diphenyl-
https://huagongshe.com/de/chemical/70840
Identifikatoren & physikalische Daten
| CAS No. | 1145-01-3 |
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| Summenformel | C15H12N2 |
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| Durchschnittliche Molmasse | 220,27 g/mol |
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| Monoisotopische Masse | 220,10004838 g/mol |
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| SMILES | c1ccc(-c2cc(-c3ccccc3)[nH]n2)cc1 |
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| InChIKey | JXHKUYQCEJILEI-UHFFFAOYSA-N |
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| PubChem CID | 70840 |
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| ChEMBL | CHEMBL375966 |
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| EC No. | 214-543-8 |
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| DTXSID | DTXSID2061565 |
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| Lokaler Name | 3,5-Diphenyl-1H-pyrazol |
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Chemische & physikalische Eigenschaften
| XLogP | 3,5 |
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| Polarare Oberfläche (TPSA) | 28,7 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 1 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 17 |
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| Formalladung | 0 |
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| Komplexität | 229 |
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| SpringerMaterials Properties | Chemical shift |
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| Löslichkeit | <0.2 [ug/mL] (The mean of the results at pH 7.4) |
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| Schmelzpunkt | 199-203 °C (lit.) |
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| Siedepunkt | 351.21°C (rough estimate) |
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| Dichte | 1.1405 (rough estimate) |
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| Brechungsindex | 1.5000 (estimate) |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| pKa (Säurekonstante) | 13.04±0.10(Predicted) |
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| Aggregatzustand | Crystalline Powder |
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| Farbe | White |
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| BRN | 158264 |
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| InChI | InChI=1S/C15H12N2/c1-3-7-12(8-4-1)14-11-15(17-16-14)13-9-5-2-6-10-13/h1-11H,(H,16,17) |
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| InChIKey | JXHKUYQCEJILEI-UHFFFAOYSA-N |
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| SMILES | N1C(C2=CC=CC=C2)=CC(C2=CC=CC=C2)=N1 |
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| EPA chemische Informationen | 1H-Pyrazole, 3,5-diphenyl- (1145-01-3) |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P273, 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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Acute Tox. 4 (97.5%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| TSCA-Inventar-Status | TSCA listed |
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| Zollcode | 29331990 |
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| R-Sätze (R) | 22-37/38-41 |
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| Gefahrensymbole | Xn |
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| Sicherheitshinweise (S) | 26-39-24/25 |
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| Lagerklasse | 11 - Combustible Solids |
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| Gefahrenklasse | Acute Tox. 4 OralAquatic Chronic 4Eye Dam. 1Skin Irrit. 2STOT SE 3 |
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