4-Iodopyrazole - CAS 3469-69-0
Catalog: |
BB022243 |
Product Name: |
4-Iodopyrazole |
CAS: |
3469-69-0 |
Synonyms: |
4-iodo-1H-pyrazole |
IUPAC Name: | 4-iodo-1H-pyrazole |
Description: | 4-Iodopyrazole (CAS# 3469-69-0) is used in the synthesis of (pyrazolyl)oxobenzocycloheptapyridinyl acetamides that act as inhibitors of c-Met. |
Molecular Weight: | 193.97 |
Molecular Formula: | C3H3IN2 |
Canonical SMILES: | C1=C(C=NN1)I |
InChI: | InChI=1S/C3H3IN2/c4-3-1-5-6-2-3/h1-2H,(H,5,6) |
InChI Key: | LLNQWPTUJJYTTE-UHFFFAOYSA-N |
Boiling Point: | 291.9 °C at 760 mmHg |
Melting Point: | 108-110 °C |
Purity: | 97.0 % |
Density: | 2.335 g/cm3 |
MDL: | MFCD00005244 |
LogP: | 1.01430 |
GHS Hazard Statement: | H302 (91.49%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112939867-A | Preparation method of 4-nitropyrazole | 20210407 |
CN-112225722-A | Method for preparing crizotinib intermediate by using microchannel reactor | 20201112 |
CN-111909090-A | Compound containing abundant alkynyl, preparation method thereof and metal organic framework material | 20200826 |
WO-2021210650-A1 | Aryl or heteroaryl derivative | 20200416 |
CN-111285890-A | Compound with antiviral and antibacterial activities | 20200331 |
PMID | Publication Date | Title | Journal |
22629200 | 20120101 | Synthesis of new bitopic tetra(pyrazolyl)-ligands with neopentane and O-xylene backbones | TheScientificWorldJournal |
21739980 | 20110819 | Synthesis of pyrazoles via electrophilic cyclization | The Journal of organic chemistry |
21135939 | 20110314 | Pyrazolin-4-ylidenes: a new class of intriguing ligands | Dalton transactions (Cambridge, England : 2003) |
17325815 | 20070314 | Preparation and characterization of the first pyrazole-based remote N-heterocyclic carbene complexes of palladium(II) | Chemical communications (Cambridge, England) |
14673714 | 20040301 | 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 of biological inorganic chemistry : JBIC : a publication of the Society of Biological Inorganic Chemistry |
Complexity: | 48.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 193.93410 |
Formal Charge: | 0 |
Heavy Atom Count: | 6 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 193.93410 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 28.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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