4-Fluoro-2-(5-isoxazolyl)phenol - CAS 288401-62-7

Catalog:	BB019986
Product Name:	4-Fluoro-2-(5-isoxazolyl)phenol
CAS:	288401-62-7
Synonyms:	4-fluoro-2-(1,2-oxazol-5-yl)phenol

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-fluoro-2-(1,2-oxazol-5-yl)phenol
Description:	4-Fluoro-2-(5-isoxazolyl)phenol (CAS# 288401-62-7) is a useful research chemical.
Molecular Weight:	179.15
Molecular Formula:	C9H6FNO2
Canonical SMILES:	C1=CC(=C(C=C1F)C2=CC=NO2)O
InChI:	InChI=1S/C9H6FNO2/c10-6-1-2-8(12)7(5-6)9-3-4-11-13-9/h1-5,12H
InChI Key:	GMKVPJVBXXTBJG-UHFFFAOYSA-N
Boiling Point:	245.6 °C at 760 mmHg
Melting Point:	188-192 °C (lit.)
Purity:	95 %
Density:	1.38 g/cm³
MDL:	MFCD03070563
LogP:	2.18630

Publication Number	Title	Priority Date
TW-200944506-A	Substituted pyrazole derivatives and use thereof	20080326
US-2009270361-A1	Substituted pyrazole derivatives and use thereof	20080326
WO-2009119880-A1	Substituted pyrazole derivatives and use thereof	20080326
DE-60215028-T2	INDOL DERIVATIVES AS BETA-3-ADRENERGE AGONISTS FOR THE TREATMENT OF TYPE 2 DIABETES	20010814
EP-1421078-A1	Beta-3 adrenergic agonists	20010814

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Related Functional Groups

Fluorinated Building Blocks

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[1011396-69-2]
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Isoxazoles

[1011398-65-4]
6-(4-(Difluoromethoxy)phenyl)-3-methylisoxazolo[5,4-b]pyridine-4-carboxylic acid
[903131-45-3]
5-(Boc-aminomethyl)-3-bromoisoxazole
[383146-88-1]
Ethyl 4-methyl-2-(pyridin-2-yl)thiazole-5-carboxylate
[100189-59-1]
Ethyl 5-(2-pyridyl)-4,5-dihydroisoxazole-3-carboxylate
[81282-12-4]
Ethyl 5-(4-chlorophenyl)isoxazole-3-carboxylate
[207291-72-3]
Ethyl 5-hydroxy-3-methyl-4-isoxazolecarboxylate sodium salt hydrate

Other Pyrimidines

[1183749-69-0]
2-(pyrimidin-2-yloxy)phenol
[452-76-6]
2,4-Difluorotoluene
[1597-32-6]
2-Amino-6-fluoropyridine
[927800-47-3]
4-Chloro-6-fluoro-2-trichloromethyl-quinoline
[1632145-37-9]
3-Methyl-3-(perfluoropyridin-4-yl)-1,5-dioxaspiro[5.5]undecane-2,4-dione
[207605-39-8]
trans-2,3,4,5,6-Pentafluoro-β-nitrostyrene

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	179
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	179.03825660
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	179.03825660
Rotatable Bond Count:	1
Topological Polar Surface Area:	46.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8