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Home Other Building Blocks 34114-12-0
34114-12-0,MFCD06345720
Catalog No.:AA0033PQ

34114-12-0 | 4-(1H-Tetrazol-5-yl)benzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
98%
in stock  
$14.00   $10.00
- +
1g
98%
in stock  
$27.00   $19.00
- +
5g
98%
in stock  
$109.00   $76.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA0033PQ
Chemical Name:
4-(1H-Tetrazol-5-yl)benzoic acid
CAS Number:
34114-12-0
Molecular Formula:
C8H6N4O2
Molecular Weight:
190.1588
MDL Number:
MFCD06345720
SMILES:
OC(=O)c1ccc(cc1)c1nnn[nH]1
NSC Number:
282009
Properties
Properties
 
BP:
467.5°C at 760 mmHg  
Form:
Solid  
MP:
248-250°C  
Storage:
Inert atmosphere;2-8℃;  

Computed Properties
 
Complexity:
215  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
2  
XLogP3:
0.7  

Upstream Synthesis Route

[1]JournalofChemicalResearch,2013,vol.37,#11,p.665-667

[2]AngewandteChemie-InternationalEdition,2018,vol.57,#2,p.511-515

[3]Angew.Chem.,2018,vol.130,#2,p.520-524,5

[4]EuropeanJournalofOrganicChemistry,2014,vol.2014,#2,p.436-441

[5]EuropeanJournalofOrganicChemistry,2014,vol.2014,#2,p.436-441

[6]SyntheticCommunications,2015,vol.45,#8,p.1023-1030

[7]JournaloftheIranianChemicalSociety,2018,vol.15,#4,p.831-838

[8]NewJournalofChemistry,2015,vol.39,#6,p.4814-4820

[9]JournalofHeterocyclicChemistry,2010,vol.47,#4,p.913-922

[10]Polyhedron,2011,vol.30,#15,p.2606-2610

[11]JournalofMaterialsChemistryC,2013,vol.1,#42,p.6970-6980

[1]Patent:WO2006/8133,2006,A2,.Locationinpatent:Page/Pagecolumn24-25

Downstream Synthesis Route
34114-12-0   
para-carboxy-5-phenyltetrazoleanion 

[1]Janic,I.;Kakas,M.[JournalofMolecularStructure,1986,vol.142,p.189-192]

34114-12-0   
para-carboxy-5-phenyltetrazolecation 

[1]Janic,I.;Kakas,M.[JournalofMolecularStructure,1986,vol.142,p.189-192]

para-carboxy-5-phenyltetrazoleanion 
  34114-12-0 

[1]Janic,I.;Kakas,M.[JournalofMolecularStructure,1986,vol.142,p.189-192]

para-carboxy-5-phenyltetrazolecation 
  34114-12-0 

[1]Janic,I.;Kakas,M.[JournalofMolecularStructure,1986,vol.142,p.189-192]

Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

Title: Tuning the framework topologies of Co(II)-doped Zn(II)-tetrazole-benzoate coordination polymers by ligand modifications: structures and spectral studies.

Journal: Inorganic chemistry 20090420

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SDS
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