103772

2,3,4,5,6-Pentafluorobenzoyl chloride

99%

• Synonym(s): Pentafluorobenzoic acid chloride, Perfluorobenzoyl chloride
• Linear Formula: C₆F₅COCl
• CAS Number: 2251-50-5
• Molecular Weight: 230.52
• Beilstein/REAXYS Number: 2054397
• EC Number: 218-842-4
• MDL number: MFCD00000657
• UNSPSC Code: 12352100
• PubChem Substance ID: 24846622
• NACRES: NA.22

Properties

• assay: 99%
• refractive index: n20/D 1.453 (lit.)
• bp: 158-159 °C (lit.)
• density: 1.601 g/mL at 25 °C (lit.)
• functional group: acyl chloride; fluoro
• SMILES string: Fc1c(F)c(F)c(c(F)c1F)C(Cl)=O
• InChI: 1S/C7ClF5O/c8-7(14)1-2(9)4(11)6(13)5(12)3(1)10
• InChI key: MYHOHFDYWMPGJY-UHFFFAOYSA-N

Description

Application

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.

Safety Information

• pictograms: GHS05
• signalword: Danger
• hcodes: H314
• pcodes: P280 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338 - P363 - P405
• Hazard Classifications: Skin Corr. 1B
• supp_hazards: EUH014
• Storage Class: 8A - Combustible corrosive hazardous materials
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter