138716-37-7,MFCD02183544
Catalog No.:AA0018ZD

138716-37-7 | 5-(4-Fluorophenyl)isoxazole

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$27.00   $19.00
- +
5g
98%
in stock  
$59.00   $42.00
- +
25g
98%
in stock  
$162.00   $114.00
- +
100g
98%
in stock  
$393.00 $275.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA0018ZD
Chemical Name:
5-(4-Fluorophenyl)isoxazole
CAS Number:
138716-37-7
Molecular Formula:
C9H6FNO
Molecular Weight:
163.1484
MDL Number:
MFCD02183544
SMILES:
Fc1ccc(cc1)c1ccno1
Properties
Properties
 
BP:
275.8°C at 760 mmHg  
Form:
Solid  
MP:
53-56 °C  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
146  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.1  

Downstream Synthesis Route
138716-37-7    1462-96-0   
2-(1-ethyl-cyclopentyl)-5-(4-fluoro-phenyl)-isoxazol-2-ium;perchlorate 

[1]Swain,ChristopherJ.;Teran,Ana;Maroto,Marta;Cabello,Angeles[BioorganicandMedicinalChemistryLetters,2006,vol.16,#23,p.6058-6062]

[1]Hoepping,Alexander;Diekers,Michael;Deuther-Conrad,Winnie;Scheunemann,Matthias;Fischer,Steffen;Hiller,Achim;Wegner,Florian;Steinbach,Joerg;Brust,Peter[BioorganicandMedicinalChemistry,2008,vol.16,#3,p.1184-1194]

[2]Rosa,FernandaA.;Machado,Pablo;Bonacorso,HelioG.;Zanatta,Nilo;Martins,MarcosA.P.[JournalofHeterocyclicChemistry,2008,vol.45,#3,p.879-885]

[1]Rosa,FernandaA.;Machado,Pablo;Bonacorso,HelioG.;Zanatta,Nilo;Martins,MarcosA.P.[JournalofHeterocyclicChemistry,2008,vol.45,#3,p.879-885]

[1]OrganicLetters,2019,vol.21,p.835-839

Literature
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SDS
Tags:138716-37-7 Molecular Formula|138716-37-7 MDL|138716-37-7 SMILES|138716-37-7 5-(4-Fluorophenyl)isoxazole
Catalog No.: AA0018ZD
138716-37-7,MFCD02183544
138716-37-7 | 5-(4-Fluorophenyl)isoxazole
Pack Size: 1g
Purity: 98%
in stock
$27.00 $19.00
Pack Size: 5g
Purity: 98%
in stock
$59.00 $42.00
Pack Size: 25g
Purity: 98%
in stock
$162.00 $114.00
Pack Size: 100g
Purity: 98%
in stock
$393.00 $275.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA0018ZD
Chemical Name: 5-(4-Fluorophenyl)isoxazole
CAS Number: 138716-37-7
Molecular Formula: C9H6FNO
Molecular Weight: 163.1484
MDL Number: MFCD02183544
SMILES: Fc1ccc(cc1)c1ccno1
Properties
BP: 275.8°C at 760 mmHg  
Form: Solid  
MP: 53-56 °C  
Storage: Keep in dry area;Room Temperature;  
Complexity: 146  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 12  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.1  
Downstream Synthesis Route
138716-37-7    1462-96-0   
2-(1-ethyl-cyclopentyl)-5-(4-fluoro-phenyl)-isoxazol-2-ium;perchlorate 

[1]Swain,ChristopherJ.;Teran,Ana;Maroto,Marta;Cabello,Angeles[BioorganicandMedicinalChemistryLetters,2006,vol.16,#23,p.6058-6062]

138716-20-8    138716-37-7 

[1]Hoepping,Alexander;Diekers,Michael;Deuther-Conrad,Winnie;Scheunemann,Matthias;Fischer,Steffen;Hiller,Achim;Wegner,Florian;Steinbach,Joerg;Brust,Peter[BioorganicandMedicinalChemistry,2008,vol.16,#3,p.1184-1194]

[2]Rosa,FernandaA.;Machado,Pablo;Bonacorso,HelioG.;Zanatta,Nilo;Martins,MarcosA.P.[JournalofHeterocyclicChemistry,2008,vol.45,#3,p.879-885]

138716-20-8    138716-37-7    651059-64-2 

[1]Rosa,FernandaA.;Machado,Pablo;Bonacorso,HelioG.;Zanatta,Nilo;Martins,MarcosA.P.[JournalofHeterocyclicChemistry,2008,vol.45,#3,p.879-885]

75175-77-8    138716-37-7 

[1]OrganicLetters,2019,vol.21,p.835-839

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