3-(4-Fluorobenzoyl)propionic acid - CAS 366-77-8

Name: 3-(4-Fluorobenzoyl)propionic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB023032
Product Name:	3-(4-Fluorobenzoyl)propionic acid
CAS:	366-77-8
Synonyms:	4-(4-fluorophenyl)-4-oxobutanoic acid

Technical Data

Safety and Hazards

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Computed Properties

IUPAC Name:	4-(4-fluorophenyl)-4-oxobutanoic acid
Description:	3-(4-Fluorobenzoyl)propionic acid (CAS# 366-77-8) is a useful research chemical.
Molecular Weight:	196.18
Molecular Formula:	C10H9FO3
Canonical SMILES:	C1=CC(=CC=C1C(=O)CCC(=O)O)F
InChI:	InChI=1S/C10H9FO3/c11-8-3-1-7(2-4-8)9(12)5-6-10(13)14/h1-4H,5-6H2,(H,13,14)
InChI Key:	WUYWHIAAQYQKPP-UHFFFAOYSA-N
Boiling Point:	374.4 °C at 760 mmHg
Melting Point:	100-102 °C
Purity:	95 %
Density:	1.283 g/cm³
Appearance:	Beige granular powder
MDL:	MFCD00002793
LogP:	1.87320

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[87-88-7]C6H2Cl2O4
Chloranilic acid
[17746-05-3]C11H21ClO
Undecanoyl chloride
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[1018141-88-2]C17H14N4O2
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

Fluorinated Building Blocks

[1946823-77-3]C7H9F3N2O
[1,4-Dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
[865774-78-3]C16H21F2NO2
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[1170836-29-9]C12H12F3N5
3-(1',3'-Dimethyl-5-(trifluoromethyl)-1'H,2H-[3,4'-bipyrazol]-2-yl)propanenitrile
[351-28-0]C8H8FNO
3'-Fluoroacetanilide
[927800-47-3]C10H4Cl4FN
4-Chloro-6-fluoro-2-trichloromethyl-quinoline
[861225-50-5]C11H9ClF2O3
4-Chloro-4,4-difluoro-1-(4-methoxyphenyl)butane-1,3-dione

Other Pyrimidines

[479552-94-8]C8H5F3N2O3S
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[1183749-69-0]C10H8N2O2
2-(pyrimidin-2-yloxy)phenol
[150517-77-4]C8H7F4N
3-Fluoro-5-(trifluoromethyl)benzylamine
[13566-71-7]C10H8N2O2
4(3H)-Pyrimidinone,6-hydroxy-2-phenyl-
[832739-73-8]C10H6Cl2N2S
4-(3,5-Dichlorophenyl)pyrimidine-2-thiol
[81290-20-2]C4H9F3Si
Trimethyl(trifluoromethyl)silane

GHS Hazard Statement:	H302 (88.64%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (13.64%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (13.64%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (11.36%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-113214195-A	Method for asymmetrically synthesizing dihydrofuran 2- (3H) -ketone compound by nickel catalysis	20210428
CN-111892582-A	Preparation method of benzofuran coumarin compound	20200716
WO-2021119554-A1	Compositions and methods for potentiating immune activity	20191212
CN-109942473-A	A kind of method of catalyst-free synthesis lactam derivatives	20190516
CN-109942473-B	Method for synthesizing lactam derivative without catalyst	20190516

PMID	Publication Date	Title	Journal
20497425	20100901	Structure-activity relationship of butyrate analogues on apoptosis, proliferation and histone deacetylase activity in HCT-116 human colorectal cancer cells	Clinical and experimental pharmacology & physiology
19371012	20090101	[Chemical toxicological analysis of haloperidol metabolite 4-(4-chlorophenyl)-4-hydroxypipiridine in urine by high-performance liquid chromatography]	Sudebno-meditsinskaia ekspertiza
17029599	20061001	Identification of a new functional target of haloperidol metabolite: implications for a receptor-independent role of 3-(4-fluorobenzoyl) propionic acid	Journal of neurochemistry
16034821	20060201	Simultaneous analysis of haloperidol, its three metabolites and two other butyrophenone-type neuroleptics by high performance liquid chromatography with dual ultraviolet detection	Biomedical chromatography : BMC
14618679	20040201	Uptake of 6-[18F]fluoro-L-dopa and [18F]CFT reflect nigral neuronal loss in a rat model of Parkinson's disease	Synapse (New York, N.Y.)

Complexity:	219
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	196.05357231
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	196.05357231
Rotatable Bond Count:	4
Topological Polar Surface Area:	54.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5