2-Bromo-4'-fluoroacetophenone - CAS 403-29-2

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

Catalog:	BB024454
Product Name:	2-Bromo-4'-fluoroacetophenone
CAS:	403-29-2
Synonyms:	2-bromo-1-(4-fluorophenyl)ethanone

Technical Data

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Computed Properties

IUPAC Name:	2-bromo-1-(4-fluorophenyl)ethanone
Description:	2-Bromo-4'-fluoroacetophenone (CAS# 403-29-2) is an intermediate in the synthetic preparation of competitive inhibitors of aromatase.
Molecular Weight:	217.04
Molecular Formula:	C8H6BrFO
Canonical SMILES:	C1=CC(=CC=C1C(=O)CBr)F
InChI:	InChI=1S/C8H6BrFO/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4H,5H2
InChI Key:	ZJFWCELATJMDNO-UHFFFAOYSA-N
Boiling Point:	150 °C (12 mmHg)
Melting Point:	46-49 °C
Purity:	95 %
Density:	1.568 g/cm³
Appearance:	Beige to light grey-green cryst. powder or flakes
Storage:	Keep Cold
LogP:	2.40330

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[87-88-7]C6H2Cl2O4
Chloranilic acid
[70199-62-1]C8H10ClNO
(4-Pyridyl)acetone Hydrochloride
[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[956439-56-8]C6H5N3O6
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[865774-78-3]C16H21F2NO2
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester

Fluorinated Building Blocks

[1946823-77-3]C7H9F3N2O
[1,4-Dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
[1106917-71-8]C8H10ClF2NO
[3-(Difluoromethoxy)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
[452-76-6]C7H6F2
2,4-Difluorotoluene
[35989-28-7]C7H3Cl2FO2
2,5-Dichloro-4-fluorobenzoic acid

Halides

[859473-05-5]C9H6Cl2N2S
N-(3,4-Dichlorophenyl)-1,3-thiazol-2-amine
[1225940-17-9]C11H9ClF3N3
1-(3-Chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazole-5-ylamine
[1448610-48-7]C11H13BrO
1-(4-Bromo-3-methylphenyl)cyclobutanol
[333311-69-6]C12H12BrN3O2
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[1820736-42-2]C11H11ClF3N3
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[932890-93-2]C16H17Cl2NO2
1-{4-[(2,4-Dichlorobenzyl)oxy]-3-ethoxyphenyl}methanamine

Other Pyrimidines

[479552-94-8]C8H5F3N2O3S
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[351-28-0]C8H8FNO
3'-Fluoroacetanilide
[927800-47-3]C10H4Cl4FN
4-Chloro-6-fluoro-2-trichloromethyl-quinoline
[45867-11-6]C5H4ClN3O2
2-Amino-5-chloro-4-pyrimidinecarboxylic acid
[944580-98-7]C8H5F3N2
8-(Trifluoromethyl)imidazo[1,2-a]pyridine
[1479-24-9]C11H11FO3
Ethyl (2-fluorobenzoyl)acetate

GHS Hazard Statement:	H314 (91.49%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
CN-112694472-A	BuChE-IDO1 inhibitor, preparation method and application thereof	20201225
CN-111423432-A	(S) -4/5-phenyl-2- (pyrrolidine-2-yl) thiazole TRPV1 antagonist and preparation and application thereof	20200511
WO-2021190615-A1	Compounds as casein kinase inhibitors	20200327
WO-2021190616-A1	Methods for inhibiting casein kinases	20200327
US-2021251982-A1	Methods for treating neurological symptoms associated with lysosomal storage diseases	20200203

PMID	Publication Date	Title	Journal
22524250	20120510	Imidazolopiperazines: lead optimization of the second-generation antimalarial agents	Journal of medicinal chemistry
22347113	20120201	2-(4-Fluoro-phen-yl)-2-oxoethyl 2-methoxy-benzoate	Acta crystallographica. Section E, Structure reports online
22199934	20111201	2-(4-Fluoro-phen-yl)-2-oxoethyl 4-meth-oxy-benzoate	Acta crystallographica. Section E, Structure reports online
22219880	20111101	2-(4-Fluoro-phen-yl)-2-oxoethyl 3-(trifluoro-meth-yl)benzoate	Acta crystallographica. Section E, Structure reports online
21202170	20080402	Di-μ-iodido-bis-{[(4-fluoro-benzoyl-methyl-ene)triphenyl-λ-phospho-rane]iodido-mercury(II)}	Acta crystallographica. Section E, Structure reports online

Complexity:	141
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	215.95861
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	215.95861
Rotatable Bond Count:	2
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5