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HCID 68010Erstellt: 26. Oktober 2026
(Trifluormethoxy)benzol
(Trifuoromethoxy)benzene · PHENYL TRIFLUOROMETHYL ETHER · ALPHA,ALPHA,ALPHA-TRIFLUOROANISOLE · trifluoroanisole · (Trifluoromethoxy)be · Pretomanid Impurity 1 · à,à,à-trifluoroanisole · α,α,α-Trifluoroanisole
https://huagongshe.com/de/chemical/68010
Identifikatoren & physikalische Daten
| CAS No. | 456-55-3 |
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| Summenformel | C7H5F3O |
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| Durchschnittliche Molmasse | 162,11 g/mol |
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| Monoisotopische Masse | 162,02924944 g/mol |
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| SMILES | FC(F)(F)Oc1ccccc1 |
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| InChIKey | GQHWSLKNULCZGI-UHFFFAOYSA-N |
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| PubChem CID | 68010 |
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| ChEMBL | CHEMBL4646410 |
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| EC No. | 207-269-5 |
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| DTXSID | DTXSID4060028 |
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| Lokaler Name | (Trifluormethoxy)benzol |
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Chemische & physikalische Eigenschaften
| XLogP | 3,2 |
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| Polarare Oberfläche (TPSA) | 9,2 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 4 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 11 |
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| Formalladung | 0 |
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| Komplexität | 115 |
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| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
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| LogP (Verteilungskoeffizient) | 3.17 |
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| Schmelzpunkt | -49.9°C |
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| Siedepunkt | 102 °C(lit.) |
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| Dichte | 1.226 g/mL at 25 °C(lit.) |
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| Dampfdruck | 41.3 mm Hg ( 25 °C) |
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| Brechungsindex | n20/D 1.406(lit.) |
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| Flammpunkt | 54 °F |
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| Lagerbedingungen | Sealed in dry,2-8°C |
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| Aggregatzustand | clear liquid |
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| Farbe | Colorless to Almost colorless |
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| Wichte | 1.226 |
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| BRN | 2043132 |
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| InChI | 1S/C7H5F3O/c8-7(9,10)11-6-4-2-1-3-5-6/h1-5H |
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| InChIKey | GQHWSLKNULCZGI-UHFFFAOYSA-N |
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| SMILES | FC(F)(F)Oc1ccccc1 |
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| CAS Datenbank | 456-55-3(CAS DataBase Reference) |
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| NIST chemische Informationen | Trifluoromethoxybenzene(456-55-3) |
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| EPA chemische Informationen | (Trifluoromethoxy)benzene (456-55-3) |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 48 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Flam. Liq. 2 (100%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| TSCA-Inventar-Status | TSCA listed |
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| UN-Transportnummer | UN 1993 3/PG 2 |
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| Zollcode | 29093090 |
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| R-Sätze (R) | 11-36/37/38 |
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| Gefahrensymbole | F,Xi,C |
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| hazard_note | Flammable/Corrosive |
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| Sicherheitshinweise (S) | 16-26-36/37/39-9-33 |
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| Gefahrenklasse | 3Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3 |
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| Verpackungsgruppe | II |
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| Lagerklasse | 3 - Flammable liquids |
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