2,2,2-Trifluoro-4'-nitroacetophenone - CAS 58808-61-0
Catalog:
BB030167
Product Name:
2,2,2-Trifluoro-4'-nitroacetophenone
CAS:
58808-61-0
Synonyms:
4'-Nitro-2,2,2-trifluoroacetophenone; Ethanone, 2,2,2-trifluoro-1-(4-nitrophenyl)-
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BB030167
1 g
$498
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IUPAC Name: 2,2,2-trifluoro-1-(4-nitrophenyl)ethanone
Molecular Weight: 219.12
Molecular Formula: C8H4F3NO3
Canonical SMILES: C1=CC(=CC=C1C(=O)C(F)(F)F)[N+](=O)[O-]
InChI: InChI=1S/C8H4F3NO3/c9-8(10,11)7(13)5-1-3-6(4-2-5)12(14)15/h1-4H
InChI Key: WUCSOOFBCSHTCS-UHFFFAOYSA-N
Boiling Point: 253.9±35.0 °C at 760 mmHg
Density: 1.5±0.1 g/cm3
LogP: 2.86300
Publication Number Title Priority Date
JP-5472638-B2 Process for producing 1- (substituted phenyl) -1-substituted silyl ethers, alcohols or ketones and intermediates 20080318
JP-WO2009116577-A1 Process for producing 1- (substituted phenyl) -1-substituted silyl ethers, alcohols or ketones and intermediates 20080318
WO-2009116577-A1 Processes for production of 1-(substituted phenyl)-1- substituted silyl ethers, alcohols or ketones, and intermediates 20080318
EP-1817283-A1 2-substituted indoles, their precursors and novel processes for the preparation thereof 20041105
US-2008039625-A1 Screening Methods 20041105
Complexity: 263
Compound Is Canonicalized: Yes
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Exact Mass: 219.01432748
Formal Charge: 0
Heavy Atom Count: 15
Hydrogen Bond Acceptor Count: 6
Hydrogen Bond Donor Count: 0
Isotope Atom Count: 0
Monoisotopic Mass: 219.01432748
Rotatable Bond Count: 1
Topological Polar Surface Area: 62.9
Undefined Atom Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 2.6
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