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2,6-Difluorbenzoylchlorid
FAC · FUROIC ACID · SKL1224 · 96.0%(T&2,6-difluoro · 2-CARBOXYFURAN · PYROMUCIC ACID · AKOS BBS-00003916 · ALPHA-FUROIC ACID
Identifikatoren & physikalische Daten
| CAS No. | 18063-02-0 |
|---|---|
| Summenformel | C7H3ClF2O |
| Durchschnittliche Molmasse | 176,55 g/mol |
| Monoisotopische Masse | 175,98404884 g/mol |
| SMILES | O=C(Cl)c1c(F)cccc1F |
| InChIKey | QRHUZEVERIHEPT-UHFFFAOYSA-N |
| PubChem CID | 87438 |
| EC No. | 241-971-2 |
| DTXSID | DTXSID90170988 |
| Lokaler Name | 2,6-Difluorbenzoylchlorid |
Chemische & physikalische Eigenschaften
| XLogP | 2,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 153 |
| SpringerMaterials Properties | Nuclear quadrupole resonance spectroscopy |
| Schmelzpunkt | 128-132 °C(lit.) |
| Siedepunkt | 72-77 °C/13 mmHg (lit.) |
| Dichte | 1.404 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.501(lit.) |
| Flammpunkt | 121 °F |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Light orange to Yellow |
| Wichte | 1.404 |
| Löslichkeit | REACTS |
| BRN | 639438 |
| InChI | InChI=1S/C7H3ClF2O/c8-7(11)6-4(9)2-1-3-5(6)10/h1-3H |
| InChIKey | QRHUZEVERIHEPT-UHFFFAOYSA-N |
| SMILES | C(Cl)(=O)C1=C(F)C=CC=C1F |
| CAS Datenbank | 18063-02-0(CAS DataBase Reference) |
| NIST chemische Informationen | 2,6-Difluorobenzoyl chloride(18063-02-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH226 (92.2%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 64 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Benzoyl chloride, 2,6-difluoro-Status: Active Update: 11-10-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24003Benzoyl chloride, 2,6-difluoro-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| Hazard Classes and Categories | Flam. Liq. 3 (92.2%) |
| F | 21 |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 2920 8/PG 2 |
| Zollcode | 29163990 |
| RTECS-Nr. | LV1763000 |
| R-Sätze (R) | 36/37/38-34-10 |
| Gefahrensymbole | C |
| hazard_note | Corrosive |
| Sicherheitshinweise (S) | 26-36/37/39-45-28A-16 |
| Gefahrenklasse | 8Eye Dam. 1Flam. Liq. 3Skin Corr. 1B |
| Verpackungsgruppe | II |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
2,6-Difluorobenzoyl chloride has been used in:the preparation of series of novel 2-aryl substituted 4H-3,1-benzoxazin-4-onesregioselective synthesis of 3,6-disubstituted-2-aminoimidazo[1,2-a]pyridineFriedel-Crafts acylation reaction of toluene, anisol, thioanisol, 4-phenoxyacetophenone and N,N-diacetyl-4-phenoxyaniline