3,5-Diphenylpyrazole - CAS 1145-01-3
Catalog: |
BB003402 |
Product Name: |
3,5-Diphenylpyrazole |
CAS: |
1145-01-3 |
Synonyms: |
3,5-diphenyl-1H-pyrazole |
IUPAC Name: | 3,5-diphenyl-1H-pyrazole |
Description: | 3,5-Diphenylpyrazole (CAS# 1145-01-3) is a useful research chemical. |
Molecular Weight: | 220.27 |
Molecular Formula: | C15H12N2 |
Canonical SMILES: | C1=CC=C(C=C1)C2=CC(=NN2)C3=CC=CC=C3 |
InChI: | InChI=1S/C15H12N2/c1-3-7-12(8-4-1)14-11-15(17-16-14)13-9-5-2-6-10-13/h1-11H,(H,16,17) |
InChI Key: | JXHKUYQCEJILEI-UHFFFAOYSA-N |
Boiling Point: | 442.7 °C at 760 mmHg |
Melting Point: | 199-203 °C (lit.) |
Purity: | 95 % |
Density: | 1.149 g/cm3 |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD00039675 |
LogP: | 3.74370 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
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PMID | Publication Date | Title | Journal |
23013461 | 20121015 | Cyclometalated iridium(III) complexes containing hydroxide/chloride ligands: isolation of heterobridged dinuclear iridium(III) compounds containing μ-OH and μ-pyrazole ligands | Inorganic chemistry |
22852392 | 20120501 | Theoretical studies of blue phosphorescent iridium(III) complexes with phenylpyrazole and phosphines | Journal of nanoscience and nanotechnology |
22849126 | 20120401 | Strong ligand field effects of blue phosphorescent Ir(III) complexes with phenylpyrazole and phosphines | Journal of nanoscience and nanotechnology |
22347027 | 20120201 | 3,5-Bis(2,4-dinitro-phen-yl)-4-nitro-1H-pyrazole acetone monosolvate | Acta crystallographica. Section E, Structure reports online |
20552131 | 20100728 | Organolanthanoid-halide synthons--a new general route to monofunctionalized lanthanoid(II) compounds? | Chemical communications (Cambridge, England) |
Complexity: | 229 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 220.100048391 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 220.100048391 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 28.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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