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HCID 4085849Erstellt: 27. Oktober 2026
2-Chloro-4,5-difluorobenzonitrile
2-CHLORO-4,5-DIFLUOROBENZONITRILE · Benzonitrile, 2-chloro-4,5-difluoro- · 2-Chloro-4,5-difluorobenzonitrile98% · 2-Chloro-4,5-difluorobenzonitrile 98%
https://huagongshe.com/de/chemical/4085849
Identifikatoren & physikalische Daten
| CAS No. | 135748-34-4 |
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| Summenformel | C7H2ClF2N |
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| Durchschnittliche Molmasse | 173,55 g/mol |
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| Monoisotopische Masse | 172,98438318 g/mol |
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| SMILES | N#Cc1cc(F)c(F)cc1Cl |
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| InChIKey | AKZDICFDUJUQRX-UHFFFAOYSA-N |
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| PubChem CID | 4085849 |
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| EC No. | 679-043-8 |
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| DTXSID | DTXSID90399152 |
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Chemische & physikalische Eigenschaften
| XLogP | 2,5 |
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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 | 11 |
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| Formalladung | 0 |
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| Komplexität | 188 |
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| Schmelzpunkt | 33-36℃ |
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| Siedepunkt | 231.5±35.0 °C(Predicted) |
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| Dichte | 1.43±0.1 g/cm3(Predicted) |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| InChI | 1S/C7H2ClF2N/c8-5-2-7(10)6(9)1-4(5)3-11/h1-2H |
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| InChIKey | AKZDICFDUJUQRX-UHFFFAOYSA-N |
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| SMILES | Fc1cc(Cl)c(cc1F)C#N |
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| CAS Datenbank | 135748-34-4(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302+H312+H332 (90.5%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 2 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 (100%) |
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| Wassergefährdungsklasse (WGK) | WGK 3 |
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| UN-Transportnummer | 3276 |
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| Zollcode | 2926907090 |
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| R-Sätze (R) | 20/21/22-36/37/38 |
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| Gefahrensymbole | Xn |
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| Sicherheitshinweise (S) | 26-36/37/39-39 |
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| Gefahrenklasse | 6.1Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2 |
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| Lagerklasse | 13 - Non Combustible Solids |
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