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

Name: 2-Bromo-3'-chloro-4'-fluoroacetophenone
Brand: BOC Sciences
Rating: 5 (1 reviews)

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

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Related Functional Groups

Carbonyl Compounds

[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[55441-25-3]C8H7N3O
1-(2-Cyanophenyl)urea
[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[253429-30-0]C12H16BrFO3
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
[91552-11-3]C10H9ClO2
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid

Fluorinated Building Blocks

[1427357-61-6]C6H4FN3
6-Fluoro-[1,2,4]triazolo[1,5-a]pyridine
[1106917-71-8]C8H10ClF2NO
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[2367-82-0]C6H2F4
1,2,3,5-Tetrafluorobenzene
[1820736-42-2]C11H11ClF3N3
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[479552-94-8]C8H5F3N2O3S
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[2454490-85-6]C16H17BF2O2
2-(7,8-Difluoro-1-naphthyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Other Pyrimidines

[2367-82-0]C6H2F4
1,2,3,5-Tetrafluorobenzene
[937601-34-8]C9H8BrN3O2
3-Bromo-2,5-dimethylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
[150517-77-4]C8H7F4N
3-Fluoro-5-(trifluoromethyl)benzylamine
[13566-71-7]C10H8N2O2
4(3H)-Pyrimidinone,6-hydroxy-2-phenyl-
[1632145-37-9]0
3-Methyl-3-(perfluoropyridin-4-yl)-1,5-dioxaspiro[5.5]undecane-2,4-dione
[1489-53-8]C6H3F3
1,2,3-Trifluorobenzene

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

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

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