2-Bromo-3'-chloro-4'-fluoroacetophenone - CAS 63529-30-6

Catalog:	BB032185
Product Name:	2-Bromo-3'-chloro-4'-fluoroacetophenone
CAS:	63529-30-6
Synonyms:	2-bromo-1-(3-chloro-4-fluorophenyl)ethanone

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-bromo-1-(3-chloro-4-fluorophenyl)ethanone
Description:	2-Bromo-3'-chloro-4'-fluoroacetophenone (CAS# 63529-30-6) is a useful research chemical.
Molecular Weight:	251.48
Molecular Formula:	C8H5BrClFO
Canonical SMILES:	C1=CC(=C(C=C1C(=O)CBr)Cl)F
InChI:	InChI=1S/C8H5BrClFO/c9-4-8(12)5-1-2-7(11)6(10)3-5/h1-3H,4H2
InChI Key:	JOCPGHGWUUBURW-UHFFFAOYSA-N
Boiling Point:	303.6 °C at 760 mmHg
Density:	1.673 g/cm³
MDL:	MFCD05154991
LogP:	3.05670

Publication Number	Title	Priority Date
WO-2021005034-A1	New heterocyclic compounds	20190709
WO-2020211956-A1	Oxazole and oxadiazole derivatives useful as agonists of free fatty acid receptor 1	20190418
US-2017066753-A1	Oxadiazine compounds and methods of use thereof	20150610
US-9802927-B2	Oxadiazine compounds and methods of use thereof	20150610
WO-2016201168-A1	Oxadiazine compounds and methods of use thereof	20150610

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Related Functional Groups

Carbonyl Compounds

[87-88-7]
Chloranilic acid
[1427004-19-0]
DBCO-PEG4-NHS ester
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[17746-05-3]
Undecanoyl chloride
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene

Fluorinated Building Blocks

[1427357-61-6]
6-Fluoro-[1,2,4]triazolo[1,5-a]pyridine
[1006473-17-1]
[(2,3-Difluorophenyl)methyl][(1,3-dimethylpyrazol-4-yl)methyl]amine
[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
[1011396-69-2]
2,2-Difluoro-N-(4-methoxy-3-(methoxymethyl)benzyl)ethanamine

Other Pyrimidines

[2367-82-0]
1,2,3,5-Tetrafluorobenzene
[1183749-69-0]
2-(pyrimidin-2-yloxy)phenol
[1597-32-6]
2-Amino-6-fluoropyridine
[2696462-69-6]
4-(4-Aminopyrimidin-2-yl)-2-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-one
[77776-68-2]
2,4,8-Trichloropyrimido[5,4-d]pyrimidine
[1011349-32-8]
6-Amino-1-isopropyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one

GHS Hazard Statement:	H301 (97.5%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	176
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	249.91963
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	249.91963
Rotatable Bond Count:	2
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2