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13788-94-8,MFCD00187810
Catalog No.:AA00HV0O

13788-94-8 | 3,5-Dimethyl-1-(4-nitrophenyl)pyrazole

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$250.00   $175.00
- +
5g
98%
in stock  
$805.00   $564.00
- +
10g
98%
in stock  
$1,123.00 $786.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00HV0O
Chemical Name:
3,5-Dimethyl-1-(4-nitrophenyl)pyrazole
CAS Number:
13788-94-8
Molecular Formula:
C11H11N3O2
Molecular Weight:
217.2239
MDL Number:
MFCD00187810
SMILES:
Cc1nn(c(c1)C)c1ccc(cc1)[N+](=O)[O-]
NSC Number:
75244
Properties
Computed Properties
 
Complexity:
258  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
16  
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:
2.5  

Downstream Synthesis Route

[1]JournalofMolecularLiquids,2017,vol.248,p.314-321

[2]JournalofOrganicChemistry,2016,vol.81,p.11788-11801

[3]ChemischeBerichte,1925,vol.58,p.1981

[4]JournalofOrganicChemistry,1956,vol.21,p.102    Org.Synth.Coll.Vol.,1963,vol.IV,p.628

[1]Stefani,HélioA.;Pereira,ClaudioM.P.;Almeida,RobertaB.;Braga,RodolphoC.;Guzen,KarlaP.;Cella,Rodrigo[TetrahedronLetters,2005,vol.46,#40,p.6833-6837]

66-27-3    13788-94-8   
2,3,5-trimethyl-1-(4-nitrophenyl)pyrazoliummethanesulfonate 

[1]JournalofMolecularLiquids,2017,vol.248,p.314-321

Literature

Title: 3,5-Dimethyl-1-(4-nitro-phen-yl)-1H-pyrazole.

Journal: Acta crystallographica. Section E, Structure reports online 20120401

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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SDS
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Tags:13788-94-8 Molecular Formula|13788-94-8 MDL|13788-94-8 SMILES|13788-94-8 3,5-Dimethyl-1-(4-nitrophenyl)pyrazole
Catalog No.: AA00HV0O
13788-94-8,MFCD00187810
13788-94-8 | 3,5-Dimethyl-1-(4-nitrophenyl)pyrazole
Pack Size： 1g
Purity： 98%
in stock
$250.00 $175.00
Pack Size： 5g
Purity： 98%
in stock
$805.00 $564.00
Pack Size： 10g
Purity： 98%
in stock
$1,123.00 $786.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00HV0O
Chemical Name: 3,5-Dimethyl-1-(4-nitrophenyl)pyrazole
CAS Number: 13788-94-8
Molecular Formula: C11H11N3O2
Molecular Weight: 217.2239
MDL Number: MFCD00187810
SMILES: Cc1nn(c(c1)C)c1ccc(cc1)[N+](=O)[O-]
NSC Number: 75244
Properties
Complexity: 258  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 16  
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: 2.5  
Downstream Synthesis Route
636-99-7    123-54-6    13788-94-8 

[1]JournalofMolecularLiquids,2017,vol.248,p.314-321

[2]JournalofOrganicChemistry,2016,vol.81,p.11788-11801

[3]ChemischeBerichte,1925,vol.58,p.1981

[4]JournalofOrganicChemistry,1956,vol.21,p.102    Org.Synth.Coll.Vol.,1963,vol.IV,p.628

13788-94-8    13808-93-0 

[1]Stefani,HélioA.;Pereira,ClaudioM.P.;Almeida,RobertaB.;Braga,RodolphoC.;Guzen,KarlaP.;Cella,Rodrigo[TetrahedronLetters,2005,vol.46,#40,p.6833-6837]

66-27-3    13788-94-8   
2,3,5-trimethyl-1-(4-nitrophenyl)pyrazoliummethanesulfonate 

[1]JournalofMolecularLiquids,2017,vol.248,p.314-321

Literature fold

Title: 3,5-Dimethyl-1-(4-nitro-phen-yl)-1H-pyrazole.

Journal: Acta crystallographica. Section E, Structure reports online20120401

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology20060501

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