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Home Other Building Blocks 167626-64-4
167626-64-4,MFCD08271895
Catalog No.:AA001XEH

167626-64-4 | 3-(1H-1,2,4-Triazol-1-yl)benzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
97%
in stock  
$13.00   $9.00
- +
5g
97%
in stock  
$239.00   $167.00
- +
25g
97%
in stock  
$1,182.00   $827.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA001XEH
Chemical Name:
3-(1H-1,2,4-Triazol-1-yl)benzoic acid
CAS Number:
167626-64-4
Molecular Formula:
C9H7N3O2
Molecular Weight:
189.1708
MDL Number:
MFCD08271895
SMILES:
OC(=O)c1cccc(c1)n1cncn1
Properties
Properties
 
BP:
449.856°C at 760 mmHg  
Form:
Solid  
MP:
262 °C  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
222  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
1.2  

Downstream Synthesis Route
CASUnavailable 
  167626-64-4   
CASUnavailable 

[1]Locationinpatent:schemeortableChen,Jianyong;Levant,Beth;Wang,Shaomeng[BioorganicandMedicinalChemistryLetters,2012,vol.22,#17,p.5612-5617]

CASUnavailable 
 
CASUnavailable 
  167626-64-4   
CASUnavailable 

[1]Wang,Da-Wei;Wang,Tao;Yan,Tong;Du,Lin;Zhao,Qi-Hua[TransitionMetalChemistry,2018,vol.43,#1,p.1-8]

CASUnavailable 
  167626-64-4   
CASUnavailable 
  2205878-68-6 

[1]Wang,Da-Wei;Wang,Tao;Du,Lin;Zhou,Jie;Yan,Tong;Zhao,Qi-Hua[StructuralChemistry,2018,vol.29,#4,p.1013-1023]

CASUnavailable 
  167626-64-4    2205878-69-7 

[1]Wang,Da-Wei;Wang,Tao;Du,Lin;Zhou,Jie;Yan,Tong;Zhao,Qi-Hua[StructuralChemistry,2018,vol.29,#4,p.1013-1023]

CASUnavailable 
  167626-64-4   
CASUnavailable 

[1]Wang,Da-Wei;Wang,Tao;Du,Lin;Zhou,Jie;Yan,Tong;Zhao,Qi-Hua[StructuralChemistry,2018,vol.29,#4,p.1013-1023]

Literature
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SDS
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Tags:167626-64-4 Molecular Formula|167626-64-4 MDL|167626-64-4 SMILES|167626-64-4 3-(1H-1,2,4-Triazol-1-yl)benzoic acid