HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 93653Erstellt: 27. Oktober 2026
5-Chlor-2-fluorbenzonitril
BUTTPARK 45\01-09 · 5-CHLORO-2-FLUORO · 2-fluoro-chlorobenzonitrile · 3-CHLORO-6-FLUOROBENZONITRILE · 5-CHLORO-2-FLUOROBENZONITRILE · 5-chloro-2-fluorobenzonitirle · 5-CHLORO-2-FLUOROCYANOBENZENE · 5-fluoro-2-fluorobenzonitrile
https://huagongshe.com/de/chemical/93653
Identifikatoren & physikalische Daten
| CAS No. | 57381-34-7 |
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| Summenformel | C7H3ClFN |
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| Durchschnittliche Molmasse | 155,55 g/mol |
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| Monoisotopische Masse | 154,993805 g/mol |
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| SMILES | N#Cc1cc(Cl)ccc1F |
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| InChIKey | GJNJDELEHIGPKJ-UHFFFAOYSA-N |
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| PubChem CID | 93653 |
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| EC No. | 260-710-3 |
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| DTXSID | DTXSID60205973 |
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| Lokaler Name | 5-Chlor-2-fluorbenzonitril |
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Chemische & physikalische Eigenschaften
| XLogP | 2,4 |
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| Polarare Oberfläche (TPSA) | 23,8 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 2 |
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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 | 162 |
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| Schmelzpunkt | 67-70°C |
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| Siedepunkt | 202.5±20.0 °C(Predicted) |
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| Dichte | 1.33±0.1 g/cm3(Predicted) |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| Aggregatzustand | crystalline solid |
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| Farbe | White |
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| InChI | 1S/C7H3ClFN/c8-6-1-2-7(9)5(3-6)4-10/h1-3H |
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| InChIKey | GJNJDELEHIGPKJ-UHFFFAOYSA-N |
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| SMILES | Fc1ccc(Cl)cc1C#N |
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| CAS Datenbank | 57381-34-7(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (95.7%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Regulatorische Informationen | Chemical: Benzonitrile, 5-chloro-2-fluoro- |
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| Weitere Sicherheitsinformationen | Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia |
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| Hazard Classes and Categories | Acute Tox. 4 (95.7%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| UN-Transportnummer | 3439 |
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| Zollcode | 29269090 |
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| R-Sätze (R) | 20/21/22-36/37/38-20/21 |
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| Gefahrensymbole | Xi,T,Xn |
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| hazard_note | Toxic |
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| Sicherheitshinweise (S) | 26-36 |
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| Gefahrenklasse | 6.1Acute Tox. 4 Oral |
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| Verpackungsgruppe | III |
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| Lagerklasse | 11 - Combustible Solids |
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