HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 68016Erstellt: 26. Oktober 2026
4-Fluorphenylacetonitril
4-FLUOROBENZYL CYANIDE · 4-Fluorobenzyl · AM0210000 [RTECS] · 4-Fluoroacetonitrile · 4-FLUOROBENZYLNITRILE · P-FLUOROBENZYL CYANIDE · p-Fluorobenzyl nitrile · 4-FluorobenzylCyanide>4-Fluoroethylene nitrile
https://huagongshe.com/de/chemical/68016
Identifikatoren & physikalische Daten
| CAS No. | 459-22-3 |
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| Summenformel | C8H6FN |
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| Durchschnittliche Molmasse | 135,14 g/mol |
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| Monoisotopische Masse | 135,04842741 g/mol |
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| SMILES | N#CCc1ccc(F)cc1 |
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| InChIKey | JHQBLYITVCBGTO-UHFFFAOYSA-N |
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| PubChem CID | 68016 |
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| EC No. | 207-286-8 |
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| DTXSID | DTXSID8060030 |
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| Lokaler Name | 4-Fluorphenylacetonitril |
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Chemische & physikalische Eigenschaften
| XLogP | 1,9 |
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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 | 1 |
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| Schwere Atome | 10 |
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| Formalladung | 0 |
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| Komplexität | 139 |
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| SpringerMaterials Properties | Dielectric constant |
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| Schmelzpunkt | 86°C |
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| Siedepunkt | 119-120 °C/18 mmHg (lit.) |
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| Dichte | 1.126 g/mL at 25 °C (lit.) |
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| Brechungsindex | n20/D 1.5002(lit.) |
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| Flammpunkt | 227 °F |
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| Lagerbedingungen | Inert atmosphere,Room Temperature |
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| Aggregatzustand | Liquid |
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| Farbe | Clear colorless to light yellow |
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| BRN | 1907764 |
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| InChI | InChI=1S/C8H6FN/c9-8-3-1-7(2-4-8)5-6-10/h1-4H,5H2 |
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| InChIKey | JHQBLYITVCBGTO-UHFFFAOYSA-N |
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| SMILES | C1(CC#N)=CC=C(F)C=C1 |
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| CAS Datenbank | 459-22-3(CAS DataBase Reference) |
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| NIST chemische Informationen | 4-Fluorophenylacetic acid nitrile(459-22-3) |
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| EPA chemische Informationen | Benzeneacetonitrile, 4-fluoro- (459-22-3) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (96.1%): 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 51 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 (96.1%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| TSCA-Inventar-Status | TSCA listed |
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| UN-Transportnummer | UN 3276 6.1/PG 3 |
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| Zollcode | 29269090 |
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| RTECS-Nr. | AM0210000 |
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| R-Sätze (R) | 20/21/22-36/37/38-20/21/22/36/37/38-20/20/22 |
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| Gefahrensymbole | Xn,T,Xi |
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| hazard_note | Toxic |
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| Sicherheitshinweise (S) | 26-36-24/25-26/36/37/39 |
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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 | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
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