HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-Chlor-2-fluorbenzol
1-CHLORO-2-FLUOROBENZENE · 1-Chloro-2-flu · 2-Chlorofluorobenzen · o-Chorofluorobenzene · O-Chloroflurobenzene · o-Fluorochlorobenzene · O-CHLOROFLUOROBENZENE · 2-FLUOROCHLOROBENZENE
Identifikatoren & physikalische Daten
| CAS No. | 348-51-6 |
|---|---|
| Summenformel | C6H4ClF |
| Durchschnittliche Molmasse | 130,55 g/mol |
| Monoisotopische Masse | 129,99855603 g/mol |
| SMILES | Fc1ccccc1Cl |
| InChIKey | ZCJAYDKWZAWMPR-UHFFFAOYSA-N |
| PubChem CID | 9583 |
| EC No. | 206-476-8 |
| DTXSID | DTXSID8059841 |
| Lokaler Name | 1-Chlor-2-fluorbenzol |
Chemische & physikalische Eigenschaften
| XLogP | 2,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 74,9 |
| Stoffklassen | Other Classes -> Halogenated Monoaromatics |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| Dampfdruck | 8.19 [mmHg] |
| Physical Description | Colorless liquid[Alfa Aesar MSDS] |
| Schmelzpunkt | −43-−42 °C(lit.) |
| Siedepunkt | 137-138 °C(lit.) |
| Dichte | 1.244 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.501(lit.) |
| Flammpunkt | 88 °F |
| Lagerbedingungen | Flammables area |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Light yellow to Light orange |
| Wichte | 1.244 |
| Löslichkeit | 501.9mg/L(25 ºC) |
| BRN | 1855301 |
| Henry-Konstante | 3.1×10-3 mol/(m3Pa) at 25℃, Ebert et al. (2023) |
| InChI | 1S/C6H4ClF/c7-5-3-1-2-4-6(5)8/h1-4H |
| InChIKey | ZCJAYDKWZAWMPR-UHFFFAOYSA-N |
| SMILES | Fc1ccccc1Cl |
| CAS Datenbank | 348-51-6(CAS DataBase Reference) |
| NIST chemische Informationen | Benzene, 1-chloro-2-fluoro-(348-51-6) |
| EPA chemische Informationen | o-Chlorofluorobenzene (348-51-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (94.2%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 52 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | TP - indicates a substance that is the subject of a proposed TSCA section 4 test rule. |
| Gefahrenübersicht | A skin and strong eye irritantHarmful by inhalation[Alfa Aesar MSDS] See o-Dichlorobenzene. |
| Hazard Classes and Categories | Flam. Liq. 3 (94.2%) |
| Unerwünschte Wirkungen | Neurotoxin - Acute solvent syndrome |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 1993 3/PG 3 |
| Zollcode | 29049090 |
| R-Sätze (R) | 10-36/38-36/37/38-39/23/24/25-23/24/25-11 |
| Gefahrensymbole | Xi,F,T |
| hazard_note | Flammable/Irritant |
| Sicherheitshinweise (S) | 16-26-36/37-37/39-45-7 |
| Gefahrenklasse | 3Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2 |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
1-Chloro-2-fluorobenzene was used in the 9F NMR analysis of conversion of 3,4-fluoro- and 3-chloro-4-fluoroaniline by Rhodococcus sp. strain. It was used in microwave-assisted traceless rapid synthesis of benzimidazolones on Ameba resin.