3-Fluorophenylacetic acid - CAS 331-25-9

Catalog:	BB021568
Product Name:	3-Fluorophenylacetic acid
CAS:	331-25-9
Synonyms:	2-(3-fluorophenyl)acetic acid

Technical Data

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Computed Properties

IUPAC Name:	2-(3-fluorophenyl)acetic acid
Description:	3-Fluorophenylacetic Acid functions as plant growth regulators, also used in the structure-activity study of antiulcerous and antiinflammatory drugs by discriminant analysis.
Molecular Weight:	154.14
Molecular Formula:	C8H7FO2
Canonical SMILES:	C1=CC(=CC(=C1)F)CC(=O)O
InChI:	InChI=1S/C8H7FO2/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4H,5H2,(H,10,11)
InChI Key:	YEAUYVGUXSZCFI-UHFFFAOYSA-N
Boiling Point:	151 ℃
Purity:	> 98.0 % (GC)
Density:	1.272 g/cm³
Appearance:	White to pale yellow or light beige crystalline
MDL:	MFCD00004331
LogP:	1.45280

Publication Number	Title	Priority Date
CN-113200934-A	Compound containing benzomorpholone-biphenyl skeleton and preparation method and application thereof	20210518
WO-2021170886-A2	Electronic device	20200806
CN-111440077-A	Synthesis method of 2, 5-diaminophenylethanol sulfate and application thereof in anti-allergic hair dye	20200515
WO-2021194908-A1	Modified dipeptide cleavases, uses thereof and related kits	20200324
JP-2021134343-A	A reactive mixture containing a plurality of reactive components and a polymer having an aryl ether ketone structure obtained from this mixture.	20200227

PMID	Publication Date	Title	Journal
21581247	20081108	3-(3-Fluoro-benz-yl)-1H-isochromen-1-one	Acta crystallographica. Section E, Structure reports online
17548091	20070713	Chromatographic selectivity study of 4-fluorophenylacetic acid positional isomers separation	Journal of chromatography. A

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1427004-19-0]
DBCO-PEG4-NHS ester
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid
[59855-96-8]
2-(Methoxymethyl)thiazole-5-carboxylic Acid

Fluorinated Building Blocks

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1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[1018125-51-3]
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[1597-32-6]
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[861225-50-5]
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[5310-68-9]
4-Chlorophenylsulphur pentafluoride
[1328640-88-5]
5-((2,2-Difluoroethoxy)methyl)-1-methyl-3-nitro-1H-pyrazole

Other Pyrimidines

[2367-82-0]
1,2,3,5-Tetrafluorobenzene
[479552-94-8]
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[351-28-0]
3'-Fluoroacetanilide
[832739-73-8]
4-(3,5-Dichlorophenyl)pyrimidine-2-thiol
[1489-53-8]
1,2,3-Trifluorobenzene
[67490-21-5]
2,4,6-Tri-tert-butylpyrimidine

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P264, P280, P302+P352, P321, P332+P313, and P362
Signal Word:	Warning

Complexity:	147
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	154.04300762
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	154.04300762
Rotatable Bond Count:	2
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7