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HCID 587204Erstellt: 27. Oktober 2026
3,5-Difluorbenzonitril
3,5-Difluorobenzonit · 3,5-difluoro nitrile · LABOTEST-BB LT00847812 · 3,5-fluorobenzonitrile · 3,5-Difluorobenzonitril · ,5-Difluorobenzonitrile · 3,5-DIFLUOROBENZONITRILE · 3,5-DIFLUOROBENZEONITRILE
https://huagongshe.com/de/chemical/587204
Identifikatoren & physikalische Daten
| CAS No. | 64248-63-1 |
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| Summenformel | C7H3F2N |
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| Durchschnittliche Molmasse | 139,1 g/mol |
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| Monoisotopische Masse | 139,02335554 g/mol |
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| SMILES | N#Cc1cc(F)cc(F)c1 |
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| InChIKey | CQXZSEXZQVKCHW-UHFFFAOYSA-N |
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| PubChem CID | 587204 |
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| EC No. | 264-752-3 |
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| DTXSID | DTXSID60214464 |
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| Lokaler Name | 3,5-Difluorbenzonitril |
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Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
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| Polarare Oberfläche (TPSA) | 23,8 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 0 |
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| Schwere Atome | 10 |
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| Formalladung | 0 |
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| Komplexität | 150 |
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| Schmelzpunkt | 84-86 °C(lit.) |
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| Siedepunkt | 160 °C |
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| Dichte | 1.2490 (estimate) |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| Löslichkeit | Insoluble in water |
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| Aggregatzustand | powder to crystal |
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| Farbe | White to Almost white |
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| BRN | 2082206 |
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| InChI | InChI=1S/C7H3F2N/c8-6-1-5(4-10)2-7(9)3-6/h1-3H |
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| InChIKey | CQXZSEXZQVKCHW-UHFFFAOYSA-N |
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| SMILES | C(#N)C1=CC(F)=CC(F)=C1 |
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| CAS Datenbank | 64248-63-1(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (97.5%): 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 79 reports by companies from 10 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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| UN-Transportnummer | 3276 |
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| Zollcode | 29269090 |
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| R-Sätze (R) | 20/21/22-36/37/38 |
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| Gefahrensymbole | Xn,Xi |
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| hazard_note | Harmful/Irritant |
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| Sicherheitshinweise (S) | 26-36-36/37/39-36/37 |
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| Gefahrenklasse | 6.1Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
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| Verpackungsgruppe | III |
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| Lagerklasse | 11 - Combustible Solids |
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