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4-Fluoro-3-(trifluoromethyl)phenacyl Bromide

4-Fluoro-3-(trifluoromethyl)phenacyl Bromide - CAS 537050-14-9

Catalog:	BB028333
Product Name:	4-Fluoro-3-(trifluoromethyl)phenacyl Bromide
CAS:	537050-14-9
Synonyms:	2-bromo-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone; 2-bromo-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone

Technical Data

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Computed Properties

IUPAC Name:	2-bromo-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone
Description:	4-Fluoro-3-(trifluoromethyl)phenacyl Bromide (CAS# 537050-14-9) is a useful research chemical.
Molecular Weight:	285.03
Molecular Formula:	C9H5BrF4O
Canonical SMILES:	C1=CC(=C(C=C1C(=O)CBr)C(F)(F)F)F
InChI:	InChI=1S/C9H5BrF4O/c10-4-8(15)5-1-2-7(11)6(3-5)9(12,13)14/h1-3H,4H2
InChI Key:	BUNOSKWLVXNWEH-UHFFFAOYSA-N
Boiling Point:	249.7 °C at 760 mmHg
Density:	1.658 g/cm³
MDL:	MFCD03094509
LogP:	3.42210

Publication Number	Title	Priority Date
WO-2020157188-A1	Dihydrooxadiazinones for the treatment of hyperproliferative diseases	20190201
AU-2018309356-A1	Dihydrooxadiazinones	20170804
CN-111212647-A	Dihydroxadiazinones	20170804
EP-3661517-A1	Dihydrooxadiazinones	20170804
EP-3661917-A1	6-phenyl-4,5-dihydropyridazin-3(2h)-one derivatives as pde3a and pde3b inhibitors for treating cancer	20170804

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Related Functional Groups

Carbonyl Compounds

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Oxiran-2-yl(phenyl)methanone
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[1427004-19-0]
DBCO-PEG4-NHS ester
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid

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GHS Hazard Statement:	H290 (50%): May be corrosive to metals [Warning Corrosive to Metals]
Precautionary Statement:	P234, P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P390, P404, P405, and P501
Signal Word:	Danger

Complexity:	241
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	283.94599
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	283.94599
Rotatable Bond Count:	2
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.4