3469-69-0,MFCD00005244
Catalog No.:AA003LI6

3469-69-0 | 4-Iodo-1H-pyrazole

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5g
98%
in stock  
$24.00   $17.00
- +
100g
≥98%
in stock  
$31.00   $22.00
- +
  • Technical Information
  • Properties
  • Literature
  • Application
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003LI6
Chemical Name:
4-Iodo-1H-pyrazole
CAS Number:
3469-69-0
Molecular Formula:
C3H3IN2
Molecular Weight:
193.9738
MDL Number:
MFCD00005244
SMILES:
Ic1c[nH]nc1
Properties
Properties
 
BP:
291.8°C at 760 mmHg  
Form:
Solid  
MP:
108-110 °C(lit.)  
Stability:
Light Sensitive  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
48.1  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
6  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
0  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.7  

Synonyms
 
  
Literature

Title: Synthesis of new bitopic tetra(pyrazolyl)-ligands with neopentane and O-xylene backbones.

Journal: TheScientificWorldJournal 20120101

Title: Synthesis of pyrazoles via electrophilic cyclization.

Journal: The Journal of organic chemistry 20110819

Title: Pyrazolin-4-ylidenes: a new class of intriguing ligands.

Journal: Dalton transactions (Cambridge, England : 2003) 20110314

Title: Preparation and characterization of the first pyrazole-based remote N-heterocyclic carbene complexes of palladium(II).

Journal: Chemical communications (Cambridge, England) 20070314

Title: Axial ligand complexes of the Rhodnius nitrophorins: reduction potentials, binding constants, EPR spectra, and structures of the 4-iodopyrazole and imidazole complexes of NP4.

Journal: Journal of biological inorganic chemistry : JBIC : a publication of the Society of Biological Inorganic Chemistry 20040301

Title: The effect of metal ions on the binding of ethanol to human alcohol dehydrogenase beta2beta2.

Journal: Journal of biomedical science 20030101

Application
4-Iodopyrazole is a chemical compound utilized in organic synthesis, specifically in an indium-mediated reaction for the preparation of heterobiaryls. This compound serves as a valuable building block due to its reactivity and ability to undergo various transformations, enabling the construction of complex molecular structures. Its incorporation into the synthesis of heterobiaryls highlights its significance in the development of diverse organic molecules with potential applications in medicinal chemistry, materials science, and other fields.
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Tags:3469-69-0 Molecular Formula|3469-69-0 MDL|3469-69-0 SMILES|3469-69-0 4-Iodo-1H-pyrazole
Catalog No.: AA003LI6
3469-69-0,MFCD00005244
3469-69-0 | 4-Iodo-1H-pyrazole
Pack Size: 5g
Purity: 98%
in stock
$24.00 $17.00
Pack Size: 100g
Purity: ≥98%
in stock
$31.00 $22.00
Quantity
- +
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Technical Information
Catalog Number: AA003LI6
Chemical Name: 4-Iodo-1H-pyrazole
CAS Number: 3469-69-0
Molecular Formula: C3H3IN2
Molecular Weight: 193.9738
MDL Number: MFCD00005244
SMILES: Ic1c[nH]nc1
Properties
BP: 291.8°C at 760 mmHg  
Form: Solid  
MP: 108-110 °C(lit.)  
Stability: Light Sensitive  
Storage: Keep in dry area;Room Temperature;  
Complexity: 48.1  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 6  
Hydrogen Bond Acceptor Count: 1  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 0  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.7  
89:   
Literature fold

Title: Synthesis of new bitopic tetra(pyrazolyl)-ligands with neopentane and O-xylene backbones.

Journal: TheScientificWorldJournal20120101

Title: Synthesis of pyrazoles via electrophilic cyclization.

Journal: The Journal of organic chemistry20110819

Title: Pyrazolin-4-ylidenes: a new class of intriguing ligands.

Journal: Dalton transactions (Cambridge, England : 2003)20110314

Title: Preparation and characterization of the first pyrazole-based remote N-heterocyclic carbene complexes of palladium(II).

Journal: Chemical communications (Cambridge, England)20070314

Title: Axial ligand complexes of the Rhodnius nitrophorins: reduction potentials, binding constants, EPR spectra, and structures of the 4-iodopyrazole and imidazole complexes of NP4.

Journal: Journal of biological inorganic chemistry : JBIC : a publication of the Society of Biological Inorganic Chemistry20040301

Title: The effect of metal ions on the binding of ethanol to human alcohol dehydrogenase beta2beta2.

Journal: Journal of biomedical science20030101

Application fold
4-Iodopyrazole is a chemical compound utilized in organic synthesis, specifically in an indium-mediated reaction for the preparation of heterobiaryls. This compound serves as a valuable building block due to its reactivity and ability to undergo various transformations, enabling the construction of complex molecular structures. Its incorporation into the synthesis of heterobiaryls highlights its significance in the development of diverse organic molecules with potential applications in medicinal chemistry, materials science, and other fields.
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