3-(4-Fluorophenyl)propionic acid - CAS 459-31-4

Catalog:	BB026021
Product Name:	3-(4-Fluorophenyl)propionic acid
CAS:	459-31-4
Synonyms:	3-(4-fluorophenyl)propanoic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	3-(4-fluorophenyl)propanoic acid
Description:	3-(4-Fluorophenyl)propionic acid (CAS# 459-31-4) is a useful research chemical.
Molecular Weight:	168.16
Molecular Formula:	C9H9FO2
Canonical SMILES:	C1=CC(=CC=C1CCC(=O)O)F
InChI:	InChI=1S/C9H9FO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6H2,(H,11,12)
InChI Key:	ZMKXWDPUXLPHCA-UHFFFAOYSA-N
Boiling Point:	278.9 °C at 760 mmHg
Density:	1.222 g/cm³
Appearance:	White crystals
MDL:	MFCD00060327
LogP:	1.84290

Publication Number	Title	Priority Date
CN-112679336-A	Method for synthesizing phenylpropionic acid compound under catalysis of heterogeneous palladium metal	20201229
CN-111217694-A	method for selectively reducing carbon-carbon double bond in Î±, beta-unsaturated carbonyl compound	20200212
WO-2021133915-A1	Ectonucleotide pyrophosphatase/phosphodiesterase 1 (enpp1) modulators and uses thereof	20191223
CN-111099986-A	Hydrogenation process	20191213
CN-111777477-A	Method for synthesizing succinic acid derivative or 3-aryl propionic acid	20191025

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
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[55441-25-3]
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[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[253429-30-0]
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Fluorinated Building Blocks

[1866059-82-6]
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[2367-82-0]
1,2,3,5-Tetrafluorobenzene
[1820736-42-2]
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[479552-94-8]
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[459836-92-1]
3,6-Difluoro-2-methylbenzoic acid

Other Pyrimidines

[1183749-69-0]
2-(pyrimidin-2-yloxy)phenol
[452-76-6]
2,4-Difluorotoluene
[2696462-69-6]
4-(4-Aminopyrimidin-2-yl)-2-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-one
[1489-53-8]
1,2,3-Trifluorobenzene
[860790-29-0]
N-[4-Cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]propane-1,3-diamine
[67490-21-5]
2,4,6-Tri-tert-butylpyrimidine

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	151
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	168.05865769
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	168.05865769
Rotatable Bond Count:	3
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6