HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 95022Erstellt: 3. November 2026
1,3-Indandione, 2-benzoyl-
Benzoylindandione · 2-benzoyl-3-indandione · 2-BENZOYL-1,3-INDANDIONE · 2-BENZOYL-1,3-INDANEDIONE · 2-benzoylindene-1,3-dione · 1,3-Indandione, 2-benzoyl- · 2-Benzoyl-1,3-indanedione,98% · 2-benzoyl-1h-indene-3(2h)-dione
https://huagongshe.com/de/chemical/95022
Identifikatoren & physikalische Daten
| CAS No. | 1785-95-1 |
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| Summenformel | C16H10O3 |
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| Durchschnittliche Molmasse | 250,25 g/mol |
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| Monoisotopische Masse | 250,06299418 g/mol |
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| SMILES | O=C(c1ccccc1)C1C(=O)c2ccccc2C1=O |
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| InChIKey | UURMMRCWXJLUKF-UHFFFAOYSA-N |
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| PubChem CID | 95022 |
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| ChEMBL | CHEMBL1559211 |
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| EC No. | 672-275-0 |
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| DTXSID | DTXSID60170495 |
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Chemische & physikalische Eigenschaften
| XLogP | 3 |
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| Polarare Oberfläche (TPSA) | 51,2 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 19 |
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| Formalladung | 0 |
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| Komplexität | 382 |
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| Schmelzpunkt | 108-112 °C |
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| Siedepunkt | 455.4±45.0 °C(Predicted) |
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| Dichte | 1.327±0.06 g/cm3(Predicted) |
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| pKa (Säurekonstante) | 3.69±0.20(Predicted) |
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| BRN | 2052944 |
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| CAS Datenbank | 1785-95-1(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (20%): Toxic if swallowed [Danger Acute toxicity, oral]P262, P264, P270, P280, P301+P316, P301+P317, P302+P352, P316, P321, P330, P361+P364, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 5 reports by companies from 2 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. 3 (20%) |
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| Zollcode | 29143900 |
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| RTECS-Nr. | NK5105000 |
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| R-Sätze (R) | 22 |
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| Toxizität | mouse,LD50,oral,350mg/kg (350mg/kg),Medicina et Pharmacologia Experimentalis. Vol. 17, Pg. 497, 1967. |
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| Gefahrensymbole | Xn |
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| Sicherheitshinweise (S) | 22-36/37 |
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