1,3-Difluoroacetone - CAS 453-14-5

Catalog:	BB025830
Product Name:	1,3-Difluoroacetone
CAS:	453-14-5
Synonyms:	1,3-difluoropropan-2-one

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	1,3-difluoropropan-2-one
Description:	1,3-Difluoroacetone (CAS# 453-14-5) is used as pharmaceutical intermediate and for chemical research.
Molecular Weight:	94.06
Molecular Formula:	C3H4F2O
Canonical SMILES:	C(C(=O)CF)F
InChI:	InChI=1S/C3H4F2O/c4-1-3(6)2-5/h1-2H2
InChI Key:	HKIPCXRNASWFRU-UHFFFAOYSA-N
Boiling Point:	85.7 ℃ at 760 mmHg
Density:	1.092 g/cm³
MDL:	MFCD07368665
LogP:	0.49450

Publication Number	Title	Priority Date
RU-2752531-C1	Specific peptide inhibitors of cysteine cathepsins	20200611
WO-2021138314-A1	Compounds and compositions for treating cns disorders	20200103
WO-2021067836-A1	Chinone-, hydrochinome- and naphthochinone-analogues of vatiquione for treatment of mitochondrial disorder diseases	20191004
US-2021206736-A1	Compositions and methods for the prevention and/or treatment of mitochondrial disease, including friedreich's ataxia	20191004
US-2020397816-A1	Methods to treat inflammatory and smooth muscle cell proliferation disorders	20190624

PMID	Publication Date	Title	Journal
29580986	20180801	Maduramicin induces apoptosis in chicken myocardial cells via intrinsic and extrinsic pathways	Toxicology in vitro : an international journal published in association with BIBRA
24706461	20150901	Mono(2-ethylhexyl) phthalate induces apoptosis in p53-silenced L02 cells via activation of both mitochondrial and death receptor pathways	Environmental toxicology
25915766	20150101	Suppression of Human T Cell Proliferation Mediated by the Cathepsin B Inhibitor, z-FA-FMK Is Due to Oxidative Stress	PloS one
22976371	20121001	Dynamics of caspase-3 activation and inhibition in embryonic micromasses evaluated by a photon-counting chemiluminescence approach	In vitro cellular & developmental biology. Animal
22543859	20120621	A general solid phase method for the synthesis of sequence independent peptidyl-fluoromethyl ketones	Organic & biomolecular chemistry

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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
[1427004-19-0]
DBCO-PEG4-NHS ester
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone

GHS Hazard Statement:	H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P310, P302+P352, P303+P361+P353, P304+P340, P311, P312, P321, P322, P330, P361, P363, P370+P378, P403+P233, P403+P235, P405, and P501
Signal Word:	Danger

Complexity:	46.8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	94.02302107
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	94.02302107
Rotatable Bond Count:	2
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7