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Home Other Building Blocks 96440-78-7
96440-78-7,MFCD11847493
Catalog No.:AA006QOY

96440-78-7 | 3-tert-Butyl-1h-1,2,4-triazole

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
98%
in stock  
$311.00   $218.00
- +
1g
95%
in stock  
$324.00   $227.00
- +
5g
95%
in stock  
$1,293.00   $905.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA006QOY
Chemical Name:
3-tert-Butyl-1h-1,2,4-triazole
CAS Number:
96440-78-7
Molecular Formula:
C6H11N3
Molecular Weight:
125.1716
MDL Number:
MFCD11847493
SMILES:
CC(c1n[nH]cn1)(C)C
Properties
Properties
 
BP:
238.1±23.0°C at 760 mmHg  
Storage:
Inert atmosphere;2-8℃;  

Computed Properties
 
Complexity:
95  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
1.7  

Downstream Synthesis Route
234082-35-0    96440-78-7   
4-(3-(tert-butyl)-1H-1,2,4-triazol-1-yl)-3-chlorobenzoicacid 

[1]Patent:WO2020/207941,2020,A1

234082-35-0    96440-78-7   
methyl4-(3-(tert-butyl)-1H-1,2,4-triazol-1-yl)-3-chlorobenzoate 

[1]Patent:WO2020/207941,2020,A1.Locationinpatent:Page/Pagecolumn223;224

Literature
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SDS
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Tags:96440-78-7 Molecular Formula|96440-78-7 MDL|96440-78-7 SMILES|96440-78-7 3-tert-Butyl-1h-1,2,4-triazole