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HCID 518565Erstellt: 27. Oktober 2026
3,5-Difluorophenylacetonitrile
3,5-DIFLUOROBENZYL CYANIDE · 3,5-DifluorobenzylCyanide>3,5-DIFLUOROPHENYLACETONITRILE · 3,5-Difluorobenzeneacetonitrile · 3,5-Difluorophenylacetonitrile98% · Benzeneacetonitrile, 3,5-difluoro- · 2-(3,5-DIFLUOROPHENYL)ACETONITRILE · 3,5-Difluorophenylacetonitrile 98% · Benzeneacetonitrile, 3,5-difluoro- (9CI)
https://huagongshe.com/de/chemical/518565
Identifikatoren & physikalische Daten
| CAS No. | 122376-76-5 |
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| Summenformel | C8H5F2N |
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| Durchschnittliche Molmasse | 153,13 g/mol |
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| Monoisotopische Masse | 153,0390056 g/mol |
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| SMILES | N#CCc1cc(F)cc(F)c1 |
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| InChIKey | OBMYMTSBABEPIB-UHFFFAOYSA-N |
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| PubChem CID | 518565 |
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| EC No. | 625-700-9 |
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| DTXSID | DTXSID10333790 |
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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 | 1 |
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| Schwere Atome | 11 |
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| Formalladung | 0 |
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| Komplexität | 162 |
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| Schmelzpunkt | 35-38 °C (lit.) |
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| Siedepunkt | 204.4±25.0 °C(Predicted) |
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| Dichte | 1.234±0.06 g/cm3(Predicted) |
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| Flammpunkt | >230 °F |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| Löslichkeit | soluble in Methanol |
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| Aggregatzustand | powder to lump to clear liquid |
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| Farbe | White or Colorless to Light yellow |
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| BRN | 6386696 |
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| InChI | 1S/C8H5F2N/c9-7-3-6(1-2-11)4-8(10)5-7/h3-5H,1H2 |
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| InChIKey | OBMYMTSBABEPIB-UHFFFAOYSA-N |
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| SMILES | Fc1cc(F)cc(CC#N)c1 |
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| CAS Datenbank | 122376-76-5(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (95.8%): 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 48 reports by companies from 8 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 (95.8%) |
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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,T |
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| hazard_note | Toxic |
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| Sicherheitshinweise (S) | 26-36-36/37/39 |
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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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