2-Chloro-2',5'-difluoroacetophenone - CAS 60468-36-2

Catalog:	BB030694
Product Name:	2-Chloro-2',5'-difluoroacetophenone
CAS:	60468-36-2
Synonyms:	2-chloro-1-(2,5-difluorophenyl)ethanone; 2-chloro-1-(2,5-difluorophenyl)ethanone

Technical Data

Patents

Computed Properties

IUPAC Name:	2-chloro-1-(2,5-difluorophenyl)ethanone
Description:	2-Chloro-2',5'-difluoroacetophenone (CAS# 60468-36-2) is a useful research chemical.
Molecular Weight:	190.57
Molecular Formula:	C8H5ClF2O
Canonical SMILES:	C1=CC(=C(C=C1F)C(=O)CCl)F
InChI:	InChI=1S/C8H5ClF2O/c9-4-8(12)6-3-5(10)1-2-7(6)11/h1-3H,4H2
InChI Key:	HJWDDTDVBUFTCP-UHFFFAOYSA-N
Boiling Point:	240.5 °C at 760 mmHg
Density:	1.353 g/cm³
MDL:	MFCD04115827
LogP:	2.38630

Publication Number	Title	Priority Date
CN-104817508-B	A kind of trinitrogenazole alcohol analog derivative and its preparation method and application	20150310
WO-2016141747-A1	Triazole alcohol derivative and preparation method and use thereof	20150310
EP-2997008-A1	Process for the preparation of key intermediates of omarigliptin	20140320
EP-2997008-B1	Process for the preparation of key intermediates of omarigliptin	20140320
ES-2587585-T3	Procedure for the preparation of key intermediates of omarigliptin	20140320

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[1035840-45-9]
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[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[2168559-63-3]
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride

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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
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4