Cas no 111333-97-2 (pentafluorophenyl Formate)
pentafluorophenyl Formate structure
Product Name:pentafluorophenyl Formate
CAS No:111333-97-2
MF:C7HF5O2
MW:212.073659658432
CID:1197566
PubChem ID:12169650
Update Time:2025-04-20
pentafluorophenyl Formate Chemical and Physical Properties
Names and Identifiers
-
- pentafluorophenyl Formate
- formic acid,2,3,4,5,6-pentafluorophenol
- Pentafluorophenyl Forme
- Perfluorophenyl formate
- AKOS040767417
- DB-255929
- formic acid pentafluorophenyl ester
- SCHEMBL392504
- C93408
- 111333-97-2
- MFCD25955553
- (2,3,4,5,6-pentafluorophenyl) formate
- 2,3,4,5,6-pentafluorophenyl formate
- NOQPJZHAGRHCFW-UHFFFAOYSA-N
-
- Inchi： 1S/C7HF5O2/c8-2-3(9)5(11)7(14-1-13)6(12)4(2)10/h1H
- InChI Key： NOQPJZHAGRHCFW-UHFFFAOYSA-N
- SMILES： FC1C(=C(C(=C(C=1OC=O)F)F)F)F
Computed Properties
- Exact Mass: 44.99763
- Monoisotopic Mass: 211.98967008g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 198
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.2
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- Density: 1.608±0.06 g/cm3 (20 oC 760 Torr),
- Boiling Point: 154.5±40.0 oC (760 Torr),
- Flash Point: 52.5±29.6 oC,
- Refractive Index: 1.4240 (25 oC)
- Solubility: Slightly soluble (3.2 g/l) (25 o C),
- PSA: 40.13
pentafluorophenyl Formate Related Literature
-
Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
-
Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
-
Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
-
5. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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