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HCID 1512607Erstellt: 26. Oktober 2026
1-Ethynyl-3,5-bis(trifluoromethyl)benzene
1-ETHYNYL-3,5-BIS(TRIFLUOROMETHYL)BENZENE · 1-ETHYNYL-3 · SALOR-INT L308668-1EA · 3,5-BIS(TRIFLUOROMETHYL)PHENYLACETYLENE · 1-ETHYNYL-3,5-BIS(TRIFLUOROMETHYL)BENZE& · 3,5-BIS(TRIFLUOROMETHYL)-1-ETHYNYLBENZENE · 3',5'-BIS-TRIFLUOROMETHYLPHENYL ACETYLENE · 1,3-Bis(trifluoromethyl)-5-ethynylbenzene
https://huagongshe.com/de/chemical/1512607
Identifikatoren & physikalische Daten
| CAS No. | 88444-81-9 |
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| Summenformel | C10H4F6 |
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| Durchschnittliche Molmasse | 238,13 g/mol |
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| Monoisotopische Masse | 238,02171945 g/mol |
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| SMILES | C#Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 |
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| InChIKey | MAHIBRPXUPUAIF-UHFFFAOYSA-N |
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| PubChem CID | 1512607 |
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| ChEMBL | CHEMBL4639052 |
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| EC No. | 627-020-8 |
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| DTXSID | DTXSID70363735 |
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Chemische & physikalische Eigenschaften
| XLogP | 3,9 |
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| Polarare Oberfläche (TPSA) | 0 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 6 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 16 |
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| Formalladung | 0 |
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| Komplexität | 269 |
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| Siedepunkt | 147-148 °C (lit.) |
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| Dichte | 1.346 g/mL at 25 °C (lit.) |
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| Brechungsindex | n20/D 1.4230(lit.) |
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| Flammpunkt | 112 °F |
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| Lagerbedingungen | 2-8°C |
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| Aggregatzustand | clear liquid |
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| Farbe | Colorless to Light yellow to Light orange |
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| InChI | InChI=1S/C10H4F6/c1-2-6-3-7(9(11,12)13)5-8(4-6)10(14,15)16/h1,3-5H |
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| InChIKey | MAHIBRPXUPUAIF-UHFFFAOYSA-N |
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| SMILES | C1(C#C)=CC(C(F)(F)F)=CC(C(F)(F)F)=C1 |
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| CAS Datenbank | 88444-81-9(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (100%): Flammable liquid and vapor [Warning 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 41 reports by companies from 4 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. 3 (100%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| UN-Transportnummer | UN 1993 3/PG 3 |
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| Zollcode | 29039990 |
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| R-Sätze (R) | 10-36/37/38 |
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| Gefahrensymbole | Xi |
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| hazard_note | Irritant |
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| Sicherheitshinweise (S) | 16-26-36 |
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| Gefahrenklasse | 3Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3 |
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| Lagerklasse | 3 - Flammable liquids |
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