Pentafluoropropionic Acid Anhydride（PFAA） - for GC derivatization, ≥99% , CAS No.356-42-3

CAS: 356-42-3 Cat. No.: P122803 Molecular Weight: 310.05 Beilstein Registry Number: 1806446 EC Number: 206-604-2

GRADE & PURITY for GC derivatization, ≥99%

Synonyms

PFAA | 0LFE7U11O5 | AKOS005063449 | PENTAFLUOROPROPIONYL ANHYDRIDE | Propanoic acid, pentafluoro-, anhydride | 2,2,3,3,3-pentafluoropropanoic anhydride | C6F10O3 | FT-0676418 | MFCD00000429 | Pentafluoropropionic anhydride, 99% | Pentafluoropropionic anhy

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

Derivatization reagent used in a GC-MS analysis of stereoisomer content of synthetic peptides. Also used in a GC-MS detection method for synephrine in dietary supplements. For the preparation of volatile pentafluoropropionyl derivatives of a wide range of compounds, for example, amines and alcohols, for EC/GC.

Specifications

Synonyms

PFAA | 0LFE7U11O5 | AKOS005063449 | PENTAFLUOROPROPIONYL ANHYDRIDE | Propanoic acid, pentafluoro-, anhydride | 2, 2, 3, 3, 3-pentafluoropropanoic anhydride | C6F10O3 | FT-0676418 | MFCD00000429 | Pentafluoropropionic anhydride, 99% | Pentafluoropropionic anhy

Specifications & Purity

for GC derivatization, ≥99%

Storage

Argon charged, Room temperature

Shipped In

Normal

Grade

for GC derivatization

Purity

≥99%

Names and Identifiers

• Canonical Smiles: C(=O)(C(C(F)(F)F)(F)F)OC(=O)C(C(F)(F)F)(F)F
• IUPAC Name: 2,2,3,3,3-pentafluoropropanoyl 2,2,3,3,3-pentafluoropropanoate
• InChIKey: XETRHNFRKCNWAJ-UHFFFAOYSA-N
• INCHI: 1S/C6F10O3/c7-3(8,5(11,12)13)1(17)19-2(18)4(9,10)6(14,15)16
• Isomeric SMILES: C(=O)(C(C(F)(F)F)(F)F)OC(=O)C(C(F)(F)F)(F)F
• WGK Germany: 3
• Molecular Weight: 310.05
• Beilstein: 1806446
• Reaxy-Rn: 1806446
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1806446&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Class Alkyl halides
      • Subclass Alkyl fluorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Class: Alkyl halides
• Subclass: Alkyl fluorides
• Intermediate Tree Nodes: Not available
• Direct Parent: Perfluoroalkyl carboxylic acid and derivatives
• Alternative Parents: Dicarboxylic acids and derivatives Carboxylic acid anhydrides Alpha-halocarboxylic acid derivatives Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Perfluoroalkyl carboxylic acid or derivatives - Dicarboxylic acid or derivatives - Carboxylic acid anhydride - Alpha-halocarboxylic acid or derivatives - Alpha-halocarboxylic acid derivative - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as perfluoroalkyl carboxylic acid and derivatives. These are organic compounds containing an alkyl chain attached to the C-alpha of a carboxylic acid group (or a derivative thereof), where all hydrogens of the alkyl chain are replaced by fluorine atoms.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Reacts with water.
• Sensitivity: Moisture sensitive.
• Refractive Index: 1.3
• Boil Point(°C): 69°C
• Molecular Weight: 310.050 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 4
• Exact Mass: 309.969 Da
• Monoisotopic Mass: 309.969 Da
• Topological Polar Surface Area: 43.400 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 342.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Yunheng Yao, Longlv Bai, Haifeng Tian, Xinzi Wu, Nianjie Zhang, Lunpeng Wu, Yifan Jia, Xiuli Ren.  (2021)  A fluorinated chitosan-based QuEChERS method for simultaneous determination of 20 organophosphorus pesticide residues in ginseng using GC–MS/MS.  BIOMEDICAL CHROMATOGRAPHY,  35  (12): (e5209).  [PMID:34216008] [10.1002/bmc.5209]

2. Deyan Gong, Ziwen Xiao, Yaoyu Hu, Silong Wu, Zineng Yi, Taikui Sheng, Zhengbao Zha, Yan Ma, Zhaohua Miao.  (2024)  Neutrophil elastase-activated carbon dots for non-invasive early diagnosis of inflammatory bowel disease by near-infrared-II fluorescence imaging.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2024.156099]

3. Jiajun Sun, Xiaolong Zhang, Mengchao Wang, Xiaoyu Zhou, Yuxuan Chen, Jinlei liu, Yinyin Dai, Kundi Zhao, Yaqin Sun, Jie Gu, Huimin Zhang, Shengnan Zhang, Amin Wurita, Koutaro Hasegawa.  (2025)  Detection and quantification of fluoxetine and its metabolite norfluoxetine in human hair and urine by GC-MS/MS.  Toxicologie Analytique et Clinique,      [PMID:] [10.1016/j.toxac.2025.04.003]

4. Qiang Bi, Shiping Zhao, Yumiao Zhang, Cai Zhang, Kechun Wang, Jingfeng Tian, Yi Zhao, Juanqin Xue.  (2026)  Multi Capture Site Design in a Bifunctional Zr-MOF for Broad Spectrum and Efficient Removal of Short and Long Chain PFAS.  Journal of Materials Chemistry A,      [PMID:] [10.1039/D5TA09698G]