2-Amino-4-fluorophenol - CAS 399-97-3

Name: 2-Amino-4-fluorophenol
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB024248
Product Name:	2-Amino-4-fluorophenol
CAS:	399-97-3
Synonyms:	2-amino-4-fluorophenol

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Computed Properties

IUPAC Name:	2-amino-4-fluorophenol
Description:	2-Amino-4-fluorophenol (CAS# 399-97-3) is a useful research chemical. A reagent used in the preparation of substituted aminobenzoxazoles and aminobenzothiazoles.
Molecular Weight:	127.12
Molecular Formula:	C6H6FNO
Canonical SMILES:	C1=CC(=C(C=C1F)N)O
InChI:	InChI=1S/C6H6FNO/c7-4-1-2-6(9)5(8)3-4/h1-3,9H,8H2
InChI Key:	ULDFRPKVIZMKJG-UHFFFAOYSA-N
Boiling Point:	252.9 °C at 760 mmHg
Melting Point:	130-135 °C
Purity:	95 %
Density:	1.347 g/cm³
Appearance:	White to brown solid, powder, crystals,crystalline powder and/or chunks
MDL:	MFCD00077451
LogP:	1.69470

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Related Functional Groups

Fluorinated Building Blocks

[1006473-17-1]C13H15F2N3
[(2,3-Difluorophenyl)methyl][(1,3-dimethylpyrazol-4-yl)methyl]amine
[459836-92-1]C8H6F2O2
3,6-Difluoro-2-methylbenzoic acid
[351-28-0]C8H8FNO
3'-Fluoroacetanilide
[2091593-59-6]C9H10F3NO
3-methoxy-6-methyl-2-(trifluoromethyl)aniline
[1328640-88-5]C7H9F2N3O3
5-((2,2-Difluoroethoxy)methyl)-1-methyl-3-nitro-1H-pyrazole
[1011398-65-4]C15H10F2N2O4
6-(4-(Difluoromethoxy)phenyl)-3-methylisoxazolo[5,4-b]pyridine-4-carboxylic acid

Other Pyrimidines

[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
[1632145-37-9]0
3-Methyl-3-(perfluoropyridin-4-yl)-1,5-dioxaspiro[5.5]undecane-2,4-dione
[451-46-7]C9H9FO2
Ethyl 4-fluorobenzoate
[81290-20-2]C4H9F3Si
Trimethyl(trifluoromethyl)silane

Oxygen Compounds

[544-62-7]C21H44O3
Batyl alcohol
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[1281984-38-0]C8H10N4O4
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[1183749-69-0]C10H8N2O2
2-(pyrimidin-2-yloxy)phenol
[37503-42-7]C10H14O3
2-Hydroxyethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
[861434-97-1]C13H11ClN2O3
3-(2-Chloro-6-methylphenoxy)-5-nitroaniline

GHS Hazard Statement:	H302 (97.83%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2020264499-A1	Irak degraders and uses thereof	20190628
CN-111952549-A	Carbon-coated lithium battery negative electrode material with yolk-eggshell structure and preparation method thereof	20190516
CN-111952549-B	Carbon-coated lithium battery negative electrode material with yolk-eggshell structure and preparation method thereof	20190516
WO-2020228436-A1	Aromatic ring or heteroaromatic ring derivatives, preparation method therefor and use thereof	20190510
US-10766888-B1	HMOX1 inducers	20190412

PMID	Publication Date	Title	Journal
21126022	20110113	Virtual screening identification of nonfolate compounds, including a CNS drug, as antiparasitic agents inhibiting pteridine reductase	Journal of medicinal chemistry
16482250	20060107	Excited state hydrogen transfer in fluorophenol.ammonia clusters studied by two-color REMPI spectroscopy	Physical chemistry chemical physics : PCCP

Complexity:	99.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	127.043341977
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	127.043341977
Rotatable Bond Count:	0
Topological Polar Surface Area:	46.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3