2,6-Difluorophenol - CAS 28177-48-2

Name: 2,6-Difluorophenol
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB019786
Product Name:	2,6-Difluorophenol
CAS:	28177-48-2
Synonyms:	2,6-difluorophenol

Technical Data

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Computed Properties

IUPAC Name:	2,6-difluorophenol
Description:	2,6-Difluorophenol (CAS# 28177-48-2) is a bioisosteric analog of γ-Aminobutyric Acid (GABA). It can also be used to prepare isoxazolone (I918120) based inhibitors of tumor necrosis factor-alpha (TNF-α).
Molecular Weight:	130.09
Molecular Formula:	C6H4F2O
Canonical SMILES:	C1=CC(=C(C(=C1)F)O)F
InChI:	InChI=1S/C6H4F2O/c7-4-2-1-3-5(8)6(4)9/h1-3,9H
InChI Key:	CKKOVFGIBXCEIJ-UHFFFAOYSA-N
Boiling Point:	59-61 °C (17 mmHg)
Purity:	98 %
Density:	1.27 g/cm³
Appearance:	Colorless crystalline low melting solid
MDL:	MFCD00002158
LogP:	1.67040

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Related Functional Groups

Fluorinated Building Blocks

[1106917-71-8]C8H10ClF2NO
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[1866059-82-6]C4H6F4O2S
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[865774-78-3]C16H21F2NO2
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[1018125-51-3]C12H12F3N3O2
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
[35989-28-7]C7H3Cl2FO2
2,5-Dichloro-4-fluorobenzoic acid
[150517-77-4]C8H7F4N
3-Fluoro-5-(trifluoromethyl)benzylamine

Other Pyrimidines

[452-76-6]C7H6F2
2,4-Difluorotoluene
[937601-34-8]C9H8BrN3O2
3-Bromo-2,5-dimethylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
[2696462-69-6]C14H23N5O2Si
4-(4-Aminopyrimidin-2-yl)-2-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-one
[832739-73-8]C10H6Cl2N2S
4-(3,5-Dichlorophenyl)pyrimidine-2-thiol
[246847-98-3]C5H4ClFN2
2-Amino-5-chloro-3-fluoropyridine
[45867-11-6]C5H4ClN3O2
2-Amino-5-chloro-4-pyrimidinecarboxylic acid

Oxygen Compounds

[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[1263034-11-2]C38H53N3O2
[(2-Azido-3-hexadecoxypropoxy)-diphenylmethyl]benzene
[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[1281984-38-0]C8H10N4O4
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[865774-78-3]C16H21F2NO2
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester

GHS Hazard Statement:	H228 (97.87%): Flammable solid [Danger Flammable solids]
Precautionary Statement:	P210, P240, P241, P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P370+P378, P403+P233, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
CN-113354646-A	8-aryloxy alkoxy substituted xanthine derivative and preparation method and application thereof	20210706
CN-113150287-A	Preparation method of cross-linkable fluorine-containing polyphosphazene	20210421
CN-112479825-A	Synthetic method of compound containing fluorophenol structure	20201126
CN-112979424-A	Synthetic method of compound containing fluorophenol structure	20201126
CN-111530390-A	Continuous production device and method of 2, 4-difluoro-3-methoxybenzoic acid	20200512

PMID	Publication Date	Title	Journal
21800903	20110908	Hydrogen bonding effects on the wavenumbers and absorption intensities of the OH fundamental and the first, second, and third overtones of phenol and 2,6-dihalogenated phenols studied by visible/near-infrared/infrared spectroscopy	The journal of physical chemistry. A
21288726	20110215	Structure-activity relations on [1-(3,5-difluoro-4-hydroxyphenyl)-1H-pyrrol-3-yl]phenylmethanone. The effect of methoxy substitution on aldose reductase inhibitory activity and selectivity	Bioorganic & medicinal chemistry
20936791	20101111	A diverse series of substituted benzenesulfonamides as aldose reductase inhibitors with antioxidant activity: design, synthesis, and in vitro activity	Journal of medicinal chemistry
20803586	20100924	Modulation of the aerobic oxidative polymerization in phenylazomethine dendrimers assembling copper complexes	Chemistry (Weinheim an der Bergstrasse, Germany)
11421721	20010702	Tricyclohexylphosphine derivatives of bis(2,6-difluorophenoxide)cadmium: a solution and solid-state NMR study	Inorganic chemistry

Complexity:	87.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	130.02302107
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	130.02302107
Rotatable Bond Count:	0
Topological Polar Surface Area:	20.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2