HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 3015608Erstellt: 26. Oktober 2026
5-Fluor-2-methyl-1H-inden-3-essigsure
2-(5-fluoro-2-methyl-1H-inden-3-yl)acetic acid · Sulindac Impurity 7 · (5-Fluoro-2-methyl-1H-inden-3-yl) · 5-FLUORO-2-METHYLINDENE-3-ACETIC ACID · 5-Fluoro-3-methylindene-2-acetic acid · 5-fluoro-2-methyl-1H-indene-3-acetic acid · 2-Methyl-5-fluoro-1H-indene-3-acetic acid · 2-(5-Fluoro-2-methyl-3-indenyl)acetic Acid
https://huagongshe.com/de/chemical/3015608
Identifikatoren & physikalische Daten
| CAS No. | 32004-66-3 |
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| Summenformel | C12H11FO2 |
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| Durchschnittliche Molmasse | 206,21 g/mol |
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| Monoisotopische Masse | 206,07430781 g/mol |
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| SMILES | CC1=C(CC(=O)O)c2cc(F)ccc2C1 |
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| InChIKey | QDDPPRDVFIJASZ-UHFFFAOYSA-N |
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| PubChem CID | 3015608 |
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| EC No. | 250-891-7 |
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| DTXSID | DTXSID20185848 |
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| Lokaler Name | 5-Fluor-2-methyl-1H-inden-3-essigsure |
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Chemische & physikalische Eigenschaften
| XLogP | 1,7 |
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| Polarare Oberfläche (TPSA) | 37,3 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 15 |
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| Formalladung | 0 |
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| Komplexität | 309 |
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| Siedepunkt | 344.5±42.0 °C(Predicted) |
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| Dichte | 1+-.0.06 g/cm3(Predicted) |
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| Lagerbedingungen | 2-8°C |
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| Aggregatzustand | solid |
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| pKa (Säurekonstante) | 4.30±0.10(Predicted) |
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| InChI | InChI=1S/C12H11FO2/c1-7-4-8-2-3-9(13)5-11(8)10(7)6-12(14)15/h2-3,5H,4,6H2,1H3,(H,14,15) |
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| InChIKey | QDDPPRDVFIJASZ-UHFFFAOYSA-N |
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| SMILES | C1C2=C(C=C(F)C=C2)C(CC(O)=O)=C1C |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]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 5 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Regulatorische Informationen | Status: Active Update: 07-06-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/19563 |
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| Hazard Classes and Categories | Acute Tox. 4 (100%) |
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| Wassergefährdungsklasse (WGK) | WGK 3 |
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| Zollcode | 2916200090 |
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| Gefahrensymbole | Xi |
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| Gefahrenklasse | IRRITANTAcute Tox. 4 Oral |
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| Lagerklasse | 11 - Combustible Solids |
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