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861340-10-5,MFCD09261250
Catalog No.:AA004TTY

861340-10-5 | 1H-Indazole-4-carbonitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95%
in stock  
$35.00   $25.00
- +
250mg
95%
in stock  
$48.00   $34.00
- +
500mg
95%
in stock  
$82.00   $58.00
- +
1g
95%
in stock  
$124.00   $87.00
- +
5g
95%
in stock  
$518.00 $363.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA004TTY
Chemical Name:
1H-Indazole-4-carbonitrile
CAS Number:
861340-10-5
Molecular Formula:
C8H5N3
Molecular Weight:
143.1454
MDL Number:
MFCD09261250
SMILES:
N#Cc1cccc2c1cn[nH]2
Properties
Properties
 
BP:
370.3°C at 760 mmHg  
Form:
Solid  
MP:
157-160℃(Solv: ligroine (8032-32-4))  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
193  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
0  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.3  

Downstream Synthesis Route

[1]ChemischeBerichte,1920,vol.53,p.1213,1216,1227

[1]v.Auwers;Schwegler[ChemischeBerichte,1920,vol.53,p.1213,1216,1227]

[1]CurrentPatentAssignee:ROCHEHOLDINGAG-WO2005/118539,2005,A1Locationinpatent:Page/Pagecolumn102-103

[1]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2008/128951,2008,A1Locationinpatent:Page/Pagecolumn66-67

[1]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2008/128951,2008,A1Locationinpatent:Page/Pagecolumn67

Literature

Title: New hypotheses for the binding mode of 4- and 7-substituted indazoles in the active site of neuronal nitric oxide synthase.

Journal: Bioorganic & medicinal chemistry 20120901

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SDS
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Tags:861340-10-5 Molecular Formula|861340-10-5 MDL|861340-10-5 SMILES|861340-10-5 1H-Indazole-4-carbonitrile
Catalog No.: AA004TTY
861340-10-5,MFCD09261250
861340-10-5 | 1H-Indazole-4-carbonitrile
Pack Size： 100mg
Purity： 95%
in stock
$35.00 $25.00
Pack Size： 250mg
Purity： 95%
in stock
$48.00 $34.00
Pack Size： 500mg
Purity： 95%
in stock
$82.00 $58.00
Pack Size： 1g
Purity： 95%
in stock
$124.00 $87.00
Pack Size： 5g
Purity： 95%
in stock
$518.00 $363.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA004TTY
Chemical Name: 1H-Indazole-4-carbonitrile
CAS Number: 861340-10-5
Molecular Formula: C8H5N3
Molecular Weight: 143.1454
MDL Number: MFCD09261250
SMILES: N#Cc1cccc2c1cn[nH]2
Properties
BP: 370.3°C at 760 mmHg  
Form: Solid  
MP: 157-160℃(Solv: ligroine (8032-32-4))  
Storage: Keep in dry area;2-8℃;  
Complexity: 193  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 11  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 0  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.3  
Downstream Synthesis Route
41748-71-4    861340-10-5 

[1]ChemischeBerichte,1920,vol.53,p.1213,1216,1227

2942-40-7    861340-10-5 

[1]v.Auwers;Schwegler[ChemischeBerichte,1920,vol.53,p.1213,1216,1227]

557-21-1    186407-74-9    861340-10-5 

[1]CurrentPatentAssignee:ROCHEHOLDINGAG-WO2005/118539,2005,A1Locationinpatent:Page/Pagecolumn102-103

539-74-2    861340-10-5    1072947-73-9    1072947-74-0 

[1]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2008/128951,2008,A1Locationinpatent:Page/Pagecolumn66-67

539-74-2    861340-10-5    1072947-75-1    1072947-76-2 

[1]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2008/128951,2008,A1Locationinpatent:Page/Pagecolumn67

Literature fold

Title: New hypotheses for the binding mode of 4- and 7-substituted indazoles in the active site of neuronal nitric oxide synthase.

Journal: Bioorganic & medicinal chemistry20120901

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