3,5-Diphenylpyrazole - CAS 1145-01-3

Catalog:	BB003402
Product Name:	3,5-Diphenylpyrazole
CAS:	1145-01-3
Synonyms:	3,5-diphenyl-1H-pyrazole

Technical Data

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Computed Properties

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

Publication Number	Title	Priority Date
US-2021129568-A1	Ink jet recording method	20191030
EP-3831780-A1	Nonaqueous electrolyte solution and nonaqueous secondary battery	20190628
EP-3750878-A1	Heteroaromatic inhibitors of astacin proteinases	20190614
US-2020332138-A1	Ink Jet Printing Ink Composition And Ink Jet Printing Method	20190419
WO-2020158647-A1	Material for hot melt extrusion system, modeling material for 3d printers, method for producing modeling material for 3d printers, and three-dimensional model	20190130

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)

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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

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