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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Catalog	Size	Price	Stock	Quantity
BB030167	1 g	$498	In stock

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Technical Data

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Computed Properties

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

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[87-88-7]
Chloranilic acid
[1427004-19-0]
DBCO-PEG4-NHS ester
[17746-05-3]
Undecanoyl chloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride

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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