2-Chloro-2',4'-difluoroacetophenone - CAS 51336-94-8

Catalog:	BB027412
Product Name:	2-Chloro-2',4'-difluoroacetophenone
CAS:	51336-94-8
Synonyms:	2-chloro-1-(2,4-difluorophenyl)ethanone

Technical Data

Safety and Hazards

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Literatures

Computed Properties

IUPAC Name:	2-chloro-1-(2,4-difluorophenyl)ethanone
Description:	A α-haloacetophenone derivatives tested for inhibition of protein tyrosine phosphatases SHP-1 and PTP1B.
Molecular Weight:	190.57
Molecular Formula:	C8H5ClF2O
Canonical SMILES:	C1=CC(=C(C=C1F)F)C(=O)CCl
InChI:	InChI=1S/C8H5ClF2O/c9-4-8(12)6-2-1-5(10)3-7(6)11/h1-3H,4H2
InChI Key:	UENGBOCGGKLVJJ-UHFFFAOYSA-N
Boiling Point:	240.9 °C at 760 mmHg
Density:	1.353 g/cm³
MDL:	MFCD00013252
LogP:	2.38630

Publication Number	Title	Priority Date
CN-113231089-A	Preparation method and application of supported phosphotungstic acid or phosphotungstate solid acid catalyst	20210507
CN-111518041-A	Preparation method of 2'4' -difluoro-2- [1- (1H-1,2, 4-triazolyl) ] acetophenone	20200424
CN-111217795-A	Antibacterial medicine and preparation method thereof	20200214
JP-2021054780-A	New production method of efinaconazole mediated by ionic liquid	20190926
JP-6856276-B2	New production method of efinaconazole mediated by ionic liquid	20190926

PMID	Publication Date	Title	Journal
15844996	20050429	Enantioselective nitrile anion cyclization to substituted pyrrolidines. A highly efficient synthesis of (3S,4R)-N-tert-butyl-4-arylpyrrolidine-3-carboxylic acid	The Journal of organic chemistry
12372498	20021104	alpha-bromoacetophenone derivatives as neutral protein tyrosine phosphatase inhibitors: structure-Activity relationship	Bioorganic & medicinal chemistry letters

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[87-88-7]
Chloranilic acid
[17746-05-3]
Undecanoyl chloride
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[55441-25-3]
1-(2-Cyanophenyl)urea
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid

Fluorinated Building Blocks

[1427357-61-6]
6-Fluoro-[1,2,4]triazolo[1,5-a]pyridine
[1106917-71-8]
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[2367-82-0]
1,2,3,5-Tetrafluorobenzene
[1018125-51-3]
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
[1597-32-6]
2-Amino-6-fluoropyridine
[459836-92-1]
3,6-Difluoro-2-methylbenzoic acid

Other Pyrimidines

[1597-32-6]
2-Amino-6-fluoropyridine
[150517-77-4]
3-Fluoro-5-(trifluoromethyl)benzylamine
[2696462-69-6]
4-(4-Aminopyrimidin-2-yl)-2-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-one
[1632145-37-9]
3-Methyl-3-(perfluoropyridin-4-yl)-1,5-dioxaspiro[5.5]undecane-2,4-dione
[81290-20-2]
Trimethyl(trifluoromethyl)silane
[207605-39-8]
trans-2,3,4,5,6-Pentafluoro-β-nitrostyrene

GHS Hazard Statement:	H314 (97.92%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

Complexity:	174
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	189.9996988
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	189.9996988
Rotatable Bond Count:	2
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4