4-Fluoroanisole - CAS 459-60-9

Catalog:	BB026039
Product Name:	4-Fluoroanisole
CAS:	459-60-9
Synonyms:	1-fluoro-4-methoxybenzene

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	1-fluoro-4-methoxybenzene
Description:	An Acetanilide and Anisole derivative metabolite by liver.
Molecular Weight:	126.13
Molecular Formula:	C7H7FO
Canonical SMILES:	COC1=CC=C(C=C1)F
InChI:	InChI=1S/C7H7FO/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3
InChI Key:	VIPWUFMFHBIKQI-UHFFFAOYSA-N
Boiling Point:	157 °C
Melting Point:	-45 °C
Purity:	98 %
Density:	1.114 g/cm³
Appearance:	Colorless to light yellow liquid
Storage:	Flammables area
MDL:	MFCD00000348
LogP:	1.83430

Publication Number	Title	Priority Date
CN-113461502-A	Preparation method of 2-hydroxybenzophenone compound and halogenated derivative thereof	20210715
CN-113354521-A	Preparation method of 2-methoxy-5-fluoro bromoacetophenone	20210712
CN-113270581-A	Potassium ion battery electrode material and preparation method and application thereof	20210423
CN-113161621-A	Preparation method of lithium ion battery	20210310
CN-111961073-A	Continuous synthesis method of arylboronic acid	20200908

PMID	Publication Date	Title	Journal
21830780	20110907	Experimental validation of the α-effect in the gas phase	Journal of the American Chemical Society
21589587	20101127	(2E,6E)-2,6-Bis(2-fluoro-5-meth-oxy-benzyl-idene)cyclo-hexan-1-one	Acta crystallographica. Section E, Structure reports online
20449135	20090921	N-donor functionalized N-heterocyclic carbene nickel(II) complexes in the Kumada coupling	Dalton transactions (Cambridge, England : 2003)
19658130	20090914	Experimental and computational studies on the iridium activation of aliphatic and aromatic C-H bonds of alkyl aryl ethers and related molecules	Chemistry (Weinheim an der Bergstrasse, Germany)
19239212	20090319	Reactions within p-difluorobenzene/methanol heterocluster ions: a detailed experimental and theoretical investigation	The journal of physical chemistry. A

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Related Functional Groups

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[2367-82-0]
1,2,3,5-Tetrafluorobenzene
[479552-94-8]
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[2454490-85-6]
2-(7,8-Difluoro-1-naphthyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Other Pyrimidines

[479552-94-8]
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[452-76-6]
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[927800-47-3]
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[1489-53-8]
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[932236-53-8]
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[672-45-7]
6-(Trifluoromethyl)uracil

Oxygen Compounds

[544-62-7]
Batyl alcohol
[1263034-11-2]
[(2-Azido-3-hexadecoxypropoxy)-diphenylmethyl]benzene
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[1183749-69-0]
2-(pyrimidin-2-yloxy)phenol
[1011396-69-2]
2,2-Difluoro-N-(4-methoxy-3-(methoxymethyl)benzyl)ethanamine

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

Complexity:	77
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 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3