5-(4-Fluorophenyl)isoxazole-3-carboxaldehyde - CAS 640292-06-4

Name: 5-(4-Fluorophenyl)isoxazole-3-carboxaldehyde
Brand: BOC Sciences
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Catalog:	BB032348
Product Name:	5-(4-Fluorophenyl)isoxazole-3-carboxaldehyde
CAS:	640292-06-4
Synonyms:	5-(4-fluorophenyl)-1,2-oxazole-3-carbaldehyde

Technical Data

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Computed Properties

IUPAC Name:	5-(4-fluorophenyl)-1,2-oxazole-3-carbaldehyde
Description:	5-(4-Fluorophenyl)isoxazole-3-carboxaldehyde (CAS# 640292-06-4) is a useful research chemical compound.
Molecular Weight:	191.16
Molecular Formula:	C10H6FNO2
Canonical SMILES:	C1=CC(=CC=C1C2=CC(=NO2)C=O)F
InChI:	InChI=1S/C10H6FNO2/c11-8-3-1-7(2-4-8)10-5-9(6-13)12-14-10/h1-6H
InChI Key:	ZCVSOFHLCCVOJD-UHFFFAOYSA-N
Boiling Point:	356.9 °C at 760 mmHg
Density:	1.303 g/cm³
MDL:	MFCD06798099
LogP:	2.29320

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[5650-34-0]C9H8O2
Oxiran-2-yl(phenyl)methanone
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid

Fluorinated Building Blocks

[1866059-82-6]C4H6F4O2S
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[459836-92-1]C8H6F2O2
3,6-Difluoro-2-methylbenzoic acid
[1975118-13-8]C11H11F2N3
4-[3-(Difluoromethyl)-4-methyl-1H-pyrazol-1-yl]aniline
[1855906-97-6]C10H13F3N2O2
Ethyl 2-[4-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoate
[2411819-14-0]C11H7F3N2O2
5-(5-(trifluoromethyl)pyridin-2-yl)-1H-pyrrole-2-carboxylic acid
[1872254-37-9]C7H13BF3KO2
Potassium (4-ethoxy-2-methyl-4-oxobutan-2-yl)trifluoroborate

Other Pyrimidines

[2367-82-0]C6H2F4
1,2,3,5-Tetrafluorobenzene
[13566-71-7]C10H8N2O2
4(3H)-Pyrimidinone,6-hydroxy-2-phenyl-
[1632145-37-9]0
3-Methyl-3-(perfluoropyridin-4-yl)-1,5-dioxaspiro[5.5]undecane-2,4-dione
[81290-20-2]C4H9F3Si
Trimethyl(trifluoromethyl)silane
[207605-39-8]C8H2F5NO2
trans-2,3,4,5,6-Pentafluoro-β-nitrostyrene
[551-62-2]C6H2F4
1,2,3,4-Tetrafluorobenzene

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2020028150-A1	Inhibitors of histone deacetylase useful for the treatment or prevention of hiv infection	20180801
EP-3829559-A1	Inhibitors of histone deacetylase useful for the treatment or prevention of hiv infection	20180801
US-2021276992-A1	Inhibitors of histone deacetylase useful for the treatment or prevention of hiv infection	20180801
JP-2019201631-A	Synthesis of therapeutic microvesicles and stem cells	20180126
US-2021054344-A1	Cpc exosomes mirna373 combination therapies	20180126

Complexity:	204
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	191.03825660
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	191.03825660
Rotatable Bond Count:	2
Topological Polar Surface Area:	43.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5