111562-32-4,MFCD09028476
Catalog No.:AA003OIM

111562-32-4 | 2-(1H-Pyrazol-5-yl)aniline

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
98%
in stock  
$26.00   $19.00
- +
1g
98%
in stock  
$165.00   $116.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003OIM
Chemical Name:
2-(1H-Pyrazol-5-yl)aniline
CAS Number:
111562-32-4
Molecular Formula:
C9H9N3
Molecular Weight:
159.1879
MDL Number:
MFCD09028476
SMILES:
Nc1ccccc1c1cc[nH]n1
NSC Number:
85418
Properties
Properties
 
Form:
Solid  
MP:
129℃ (lit.)  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
149  
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:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.2  

Downstream Synthesis Route

[1]OrganicLetters,2017,vol.19,p.886-889

[2]Heterocycles,1994,vol.39,p.693-722

[1]Gerecke,Max;Kyburz,Emilio;Borer,Rene;Gassner,Walter[Heterocycles,1994,vol.39,#2,p.693-722]

13338-49-3    111562-32-4   
(4,5-dihydro-1<i>H</i>-imidazol-2-ylmethyl)-2-(2<i>H</i>-pyrazol-3-yl)-phenyl-amine 

[1]BioorganicandMedicinalChemistryLetters,2003,vol.13,p.1183-1186

[1]Ihara,Hideki;Suginome,Michinori[JournaloftheAmericanChemicalSociety,2009,vol.131,p.7502-7503]

[2]Locationinpatent:experimentalpartJanjic,Monika;Prebil,Rok;Groselj,Uros;Kralj,David;Malavasic,Crt;Golobic,Amalija;Stare,Katarina;Dahmann,Georg;Stanovnik,Branko;Svete,Jurij[HelveticaChimicaActa,2011,vol.94,#9,p.1703-1717]

[3]Speake,JasonD.;NavasIII,Frank;Bishop,MichaelJ.;Garrison,DeannaT.;Bigham,EricC.;Hodson,StephenJ.;Saussy,DavidL.;Liacos,JimA.;Irving,PaulE.;Sherman,BryanW.[BioorganicandMedicinalChemistryLetters,2003,vol.13,#6,p.1183-1186]

[1]Patent:US2005/113566,2005,A1

[2]Patent:WO2012/7006,2012,A1.Locationinpatent:Page/Pagecolumn33

Literature

Title: Easily attachable and detachable ortho-directing agent for arylboronic acids in ruthenium-catalyzed aromatic C-H silylation.

Journal: Journal of the American Chemical Society 20090610

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
Tags:111562-32-4 Molecular Formula|111562-32-4 MDL|111562-32-4 SMILES|111562-32-4 2-(1H-Pyrazol-5-yl)aniline
Catalog No.: AA003OIM
111562-32-4,MFCD09028476
111562-32-4 | 2-(1H-Pyrazol-5-yl)aniline
Pack Size: 100mg
Purity: 98%
in stock
$26.00 $19.00
Pack Size: 1g
Purity: 98%
in stock
$165.00 $116.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA003OIM
Chemical Name: 2-(1H-Pyrazol-5-yl)aniline
CAS Number: 111562-32-4
Molecular Formula: C9H9N3
Molecular Weight: 159.1879
MDL Number: MFCD09028476
SMILES: Nc1ccccc1c1cc[nH]n1
NSC Number: 85418
Properties
Form: Solid  
MP: 129℃ (lit.)  
Storage: Keep in dry area;2-8℃;  
Complexity: 149  
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: 2  
Hydrogen Bond Donor Count: 2  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.2  
Downstream Synthesis Route
611-36-9    111562-32-4 

[1]OrganicLetters,2017,vol.19,p.886-889

[2]Heterocycles,1994,vol.39,p.693-722

79-04-9    111562-32-4    91182-96-6 

[1]Gerecke,Max;Kyburz,Emilio;Borer,Rene;Gassner,Walter[Heterocycles,1994,vol.39,#2,p.693-722]

13338-49-3    111562-32-4   
(4,5-dihydro-1<i>H</i>-imidazol-2-ylmethyl)-2-(2<i>H</i>-pyrazol-3-yl)-phenyl-amine 

[1]BioorganicandMedicinalChemistryLetters,2003,vol.13,p.1183-1186

59844-05-2    111562-32-4 

[1]Ihara,Hideki;Suginome,Michinori[JournaloftheAmericanChemicalSociety,2009,vol.131,p.7502-7503]

[2]Locationinpatent:experimentalpartJanjic,Monika;Prebil,Rok;Groselj,Uros;Kralj,David;Malavasic,Crt;Golobic,Amalija;Stare,Katarina;Dahmann,Georg;Stanovnik,Branko;Svete,Jurij[HelveticaChimicaActa,2011,vol.94,#9,p.1703-1717]

[3]Speake,JasonD.;NavasIII,Frank;Bishop,MichaelJ.;Garrison,DeannaT.;Bigham,EricC.;Hodson,StephenJ.;Saussy,DavidL.;Liacos,JimA.;Irving,PaulE.;Sherman,BryanW.[BioorganicandMedicinalChemistryLetters,2003,vol.13,#6,p.1183-1186]

59844-05-2    111562-32-4 

[1]Patent:US2005/113566,2005,A1

[2]Patent:WO2012/7006,2012,A1.Locationinpatent:Page/Pagecolumn33

Literature fold

Title: Easily attachable and detachable ortho-directing agent for arylboronic acids in ruthenium-catalyzed aromatic C-H silylation.

Journal: Journal of the American Chemical Society20090610

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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