3-Fluoroanisole - CAS 456-49-5

Name: 3-Fluoroanisole
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB025959
Product Name:	3-Fluoroanisole
CAS:	456-49-5
Synonyms:	1-fluoro-3-methoxybenzene

Technical Data

Safety and Hazards

Patents

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Computed Properties

IUPAC Name:	1-fluoro-3-methoxybenzene
Description:	3-Fluoroanisole (CAS# 456-49-5) is used in the preparation of tertiary benzylic nitriles.
Molecular Weight:	126.13
Molecular Formula:	C7H7FO
Canonical SMILES:	COC1=CC(=CC=C1)F
InChI:	InChI=1S/C7H7FO/c1-9-7-4-2-3-6(8)5-7/h2-5H,1H3
InChI Key:	MFJNOXOAIFNSBX-UHFFFAOYSA-N
Boiling Point:	158 °C (743 mmHg)
Density:	1.104 g/cm³
MDL:	MFCD00000335
LogP:	1.83430

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Strict process parameter control to ensure product quality

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> 20,000 building blocks and intermediates from stock

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Process scale-up from lab to industrial scale

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Flexible batch size for diverse industrial demands

Related Functional Groups

Fluorinated Building Blocks

[1006473-17-1]C13H15F2N3
[(2,3-Difluorophenyl)methyl][(1,3-dimethylpyrazol-4-yl)methyl]amine
[1106917-71-8]C8H10ClF2NO
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[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
[1170836-29-9]C12H12F3N5
3-(1',3'-Dimethyl-5-(trifluoromethyl)-1'H,2H-[3,4'-bipyrazol]-2-yl)propanenitrile
[459836-92-1]C8H6F2O2
3,6-Difluoro-2-methylbenzoic acid

Other Pyrimidines

[1597-32-6]C5H5FN2
2-Amino-6-fluoropyridine
[937601-34-8]C9H8BrN3O2
3-Bromo-2,5-dimethylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
[351-28-0]C8H8FNO
3'-Fluoroacetanilide
[77776-68-2]C6HCl3N4
2,4,8-Trichloropyrimido[5,4-d]pyrimidine
[246847-98-3]C5H4ClFN2
2-Amino-5-chloro-3-fluoropyridine
[45867-11-6]C5H4ClN3O2
2-Amino-5-chloro-4-pyrimidinecarboxylic acid

Oxygen Compounds

[544-62-7]C21H44O3
Batyl alcohol
[134769-80-5]C11H16O2
3-Methylphenylacetaldehyde dimethyl acetal
[52378-69-5]C13H19O3P
Diethyl trans-cinnamylphosphonate
[5896-75-3]C20H25N3O3
(Z)-N-(4-Phenylpiperazin-1-yl)-1-(2,3,4-trimethoxyphenyl)methanimine
[5333-45-9]C10H14O4
1,2,3,5-Tetramethoxybenzene
[1281984-38-0]C8H10N4O4
1-Cyclopentyl-3,5-dinitro-1H-pyrazole

GHS Hazard Statement:	H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-112341346-A	Synthetic method of oxitinib intermediate	20201030
JP-2020143060-A	Non-aqueous electrolyte solution and non-aqueous electrolyte battery using it	20200407
JP-6851527-B2	Non-aqueous electrolyte solution and non-aqueous electrolyte battery using it	20200407
JP-2021113188-A	Polycyclic aromatic compounds	20200117
JP-2021113160-A	Polycyclic aromatic compounds	20200116

PMID	Publication Date	Title	Journal
21861463	20111013	Primary amino acid derivatives: substitution of the 4'-N'-benzylamide site in (R)-N'-benzyl 2-amino-3-methylbutanamide, (R)-N'-benzyl 2-amino-3,3-dimethylbutanamide, and (R)-N'-benzyl 2-amino-3-methoxypropionamide provides potent anticonvulsants with pain-attenuating properties	Journal of medicinal chemistry
20004043	20100301	Synthesis, characterization and biological activity of some new 1,3,4-oxadiazole bearing 2-flouro-4-methoxy phenyl moiety	European journal of medicinal chemistry
16841901	20060715	Multiplexed rectilinear ion trap mass spectrometer for high-throughput analysis	Analytical chemistry

Complexity:	85
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	126.048093005
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	126.048093005
Rotatable Bond Count:	1
Topological Polar Surface Area:	9.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2