Pentafluorbenzoylchlorid
2,3,4,5,6-PENTAFLUOROBENZOYL CHLORIDE · PERFLUOROBENZOYL CHLORIDE · pentafluorobenzoychloride · SKL1300 · NSC 97002 · Pentafluorobenzoyl c · pentaflurobenzyl cyanide · PENTAFLUOROBENZOYL CHLORIDE
Identifikatoren & physikalische Daten
| CAS No. | 2251-50-5 |
|---|---|
| Summenformel | C7ClF5O |
| Durchschnittliche Molmasse | 230,52 g/mol |
| Monoisotopische Masse | 229,9557834 g/mol |
| SMILES | O=C(Cl)c1c(F)c(F)c(F)c(F)c1F |
| InChIKey | MYHOHFDYWMPGJY-UHFFFAOYSA-N |
| PubChem CID | 75256 |
| ChEBI | CHEBI:39425 |
| EC No. | 218-842-4 |
| DTXSID | DTXSID90177033 |
| Lokaler Name | Pentafluorbenzoylchlorid |
Chemische & physikalische Eigenschaften
| XLogP | 2,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 6 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 222 |
| SpringerMaterials Properties | Nuclear quadrupole resonance spectroscopy |
| Siedepunkt | 158-159 °C(lit.) |
| Dichte | 1.601 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.453(lit.) |
| Flammpunkt | None |
| Lagerbedingungen | Store below +30°C. |
| Löslichkeit | soluble in Chloroformdecomposes |
| Aggregatzustand | Liquid |
| Wichte | 1.601 |
| Farbe | Clear colorless to light yellow |
| BRN | 2054397 |
| Stabilität | Moisture Sensitive |
| InChI | 1S/C7ClF5O/c8-7(14)1-2(9)4(11)6(13)5(12)3(1)10 |
| InChIKey | MYHOHFDYWMPGJY-UHFFFAOYSA-N |
| SMILES | Fc1c(F)c(F)c(c(F)c1F)C(Cl)=O |
| CAS Datenbank | 2251-50-5(CAS DataBase Reference) |
| NIST chemische Informationen | Pentafluorobenzoyl chloride(2251-50-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 61 reports by companies from 6 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| F | 10-19-21 |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3265 8/PG 2 |
| Zollcode | 29163900 |
| R-Sätze (R) | 14-34 |
| Gefahrensymbole | C |
| hazard_note | Corrosive/Lachrymator |
| Sicherheitshinweise (S) | 26-36/37/39-45 |
| Gefahrenklasse | 8Skin Corr. 1B |
| Verpackungsgruppe | II |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Beschreibung
Pentafluorobenzoyl chloride is the acid chloride of pentafluorobenzoic acid. It is a sensitive derivatising reagent for the analysis of amines, amides and phenols by electron capture gas chromatography. It has a role as a chromatographic reagent. It is an acyl chloride and a perfluorinated compound. It derives from a pentafluorobenzoic acid.2,3,4,5,6-Pentafluorobenzoyl chloride was used for derivatization of 5-androstenediol, testosterone, estradiol , dihydrotestosterone and estrone in a study to determine their serum levels. 2,3,4,5,6-Pentafluorobenzoyl chloride was used to derivatize dimethylamine(DMA) in study to develop a rapid and accurate GC–MS method for determination of DMA in human urine. 2,3,4,5,6-Pentafluorobenzoyl chloride was used in a study to detect the presence of Enterobacter cloacae in cultures of Leuconostoc mesenteroide by gas chromatography/mass spectrometry.
Verwenden
Pentafluorobenzoyl Chloride is a useful analytical reagent in the derivatization amphetamines as well as other primary amines.