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95-14-7,MFCD22417134
Catalog No.:AA0032OW

95-14-7 | 1H-Benzotriazole

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Purity
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Price(USD)
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100g
98%
in stock  
$12.00   $8.00
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500g
98%
in stock  
$14.00   $10.00
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  • Technical Information
  • Properties
  • Literature
  • Application
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0032OW
Chemical Name:
1H-Benzotriazole
CAS Number:
95-14-7
Molecular Formula:
C6H5N3
Molecular Weight:
119.1240
MDL Number:
MFCD22417134
SMILES:
c1ccc2c(c1)[nH]nn2
NSC Number:
3058
Properties
Properties
 
BP:
276.1 °C at 760 mmHg  
Form:
Solid  
MP:
97-99 °C(lit.)  
Refractive Index:
1.5589 (estimate)  
Solubility:
19g/l  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
92.5  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
XLogP3:
1  

Literature
Application
Benzotriazole, a versatile compound, finds applications as a key reactant in various organic synthesis pathways. Its significance lies in its ability to participate in diverse reactions, leading to the synthesis of important functional groups and compounds. Firstly, benzotriazole serves as a precursor in the Mannich reaction, enabling the synthesis of β-aminocarbonyl compounds from secondary amines and aldehydes in the presence of p-toluenesulfonic acid as a catalyst. Additionally, benzotriazole is utilized in the synthesis of acylbenzotriazoles through a thionyl chloride catalyzed reaction with nitrobenzoic acids, providing access to versatile intermediates for further functionalization. Furthermore, benzotriazole reacts with 2-bromopyridine in the presence of toluene as a solvent to yield 1-(2-pyridyl)benzotriazole, showcasing its utility in the synthesis of heterocyclic compounds. With its diverse applications in organic synthesis, benzotriazole emerges as a valuable tool for the preparation of various functional molecules and intermediates in synthetic chemistry.
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SDS
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