2',3',4',5',6'-Pentafluoroacetophenone - CAS 652-29-9

Catalog:	BB032673
Product Name:	2',3',4',5',6'-Pentafluoroacetophenone
CAS:	652-29-9
Synonyms:	1-(2,3,4,5,6-pentafluorophenyl)ethanone

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	1-(2,3,4,5,6-pentafluorophenyl)ethanone
Description:	2',3',4',5',6'-Pentafluoroacetophenone (CAS# 652-29-9) is a useful research chemical.
Molecular Weight:	210.10
Molecular Formula:	C8H3F5O
Canonical SMILES:	CC(=O)C1=C(C(=C(C(=C1F)F)F)F)F
InChI:	InChI=1S/C8H3F5O/c1-2(14)3-4(9)6(11)8(13)7(12)5(3)10/h1H3
InChI Key:	FBGHCYZBCMDEOX-UHFFFAOYSA-N
Boiling Point:	130-131 °C
Density:	1.47 g/cm³
MDL:	MFCD00000296
LogP:	2.58470

Publication Number	Title	Priority Date
CN-113072524-A	Polyfluoroaryl substituted alkane and preparation method thereof	20210331
CN-112500517-A	Oil-soluble super-heavy oil viscosity reducer and preparation method and application thereof	20201201
WO-2021105219-A1	Parthanatos cell death inhibitors for use in the treatment of psoriasis	20191126
US-2021092950-A1	Pesticidal compounds and methods of use	20190927
WO-2020188478-A1	Rigidified pentadentate chelators useful for the [al18f]2+ labelling of biomolecules	20190318

PMID	Publication Date	Title	Journal
22829283	20121101	Photobiocatalyzed asymmetric reduction of ketones using Chlorella sp. MK201	Biotechnology letters
20590527	20100802	Enantioselective reduction of prochiral ketones by engineered bifunctional fusion proteins	Biotechnology and applied biochemistry
17345080	20070701	Cofactor regeneration in phototrophic cyanobacteria applied for asymmetric reduction of ketones	Applied microbiology and biotechnology
12889891	20030807	A new protocol for in situ dioxirane reactions: stoichiometric in oxone and catalytic in fluorinated acetophenones	Organic letters

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Related Functional Groups

Carbonyl Compounds

[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[17746-05-3]
Undecanoyl chloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid
[2168559-63-3]
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride

Fluorinated Building Blocks

[1106917-71-8]
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[1866059-82-6]
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[2367-82-0]
1,2,3,5-Tetrafluorobenzene
[479552-94-8]
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[1018125-51-3]
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
[1011396-69-2]
2,2-Difluoro-N-(4-methoxy-3-(methoxymethyl)benzyl)ethanamine

Other Pyrimidines

[2367-82-0]
1,2,3,5-Tetrafluorobenzene
[1632145-37-9]
3-Methyl-3-(perfluoropyridin-4-yl)-1,5-dioxaspiro[5.5]undecane-2,4-dione
[207605-39-8]
trans-2,3,4,5,6-Pentafluoro-β-nitrostyrene
[551-62-2]
1,2,3,4-Tetrafluorobenzene
[77776-68-2]
2,4,8-Trichloropyrimido[5,4-d]pyrimidine
[45867-11-6]
2-Amino-5-chloro-4-pyrimidinecarboxylic acid

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	218
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	210.01040553
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	210.01040553
Rotatable Bond Count:	1
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1