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Pentafluorophenol

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Category Antiviral intermediates
CAS 771-61-9
Description Intermediate of medicine, pesticide and liquid crystal material; used for the preparation of pentafluorophenyl esters for peptide synthesis.
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Product Information

Synonyms PENTAFLUOROPHENOL; UNII-A2YCF0YUHA; MFCD00002156; A2YCF0YUHA; pentafluoro-pheno; PFP; PFP-OH; 2,3,4,5,6-pentafluoro-phenol; Phenol, pentafluoro-; pentafluoro-phenol
IUPAC Name 2,3,4,5,6-pentafluorophenol
Molecular Weight 184.06
Molecular Formula C6HF5O
Canonical SMILES C1(=C(C(=C(C(=C1F)F)F)F)F)O
InChI InChI=1S/C6HF5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H
InChIKey XBNGYFFABRKICK-UHFFFAOYSA-N
Boiling Point 146.3±35.0 °C
Melting Point 32-38 °C
Flash Point 72.2±0.0 °C
Purity ≥ 99.5% (GC)
Density 1.7±0.1 g/cm3
Solubility Slightly soluble in Chloroform, Methanol
Appearance White to light yellow crystal
Storage 2-8 °C
Complexity 150
Exact Mass 183.99475546
Index Of Refraction 1.429
PSA 20.23000
Vapor Pressure 3.7±0.3 mmHg at 25°C
XLogP3-AA 3.2

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