1-Phenyl-1H-imidazole - CAS 7164-98-9

Catalog:	BB034444
Product Name:	1-Phenyl-1H-imidazole
CAS:	7164-98-9
Synonyms:	1-phenylimidazole; 1-phenylimidazole

Technical Data

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Computed Properties

IUPAC Name:	1-phenylimidazole
Description:	1-Phenyl-1H-imidazole (CAS# 7164-98-9) is a useful research chemical.
Molecular Weight:	144.17
Molecular Formula:	C9H8N2
Canonical SMILES:	C1=CC=C(C=C1)N2C=CN=C2
InChI:	InChI=1S/C9H8N2/c1-2-4-9(5-3-1)11-7-6-10-8-11/h1-8H
InChI Key:	SEULWJSKCVACTH-UHFFFAOYSA-N
Boiling Point:	142 ℃ (15 mmHg)
Density:	1.14 g/cm³
Solubility:	19.7 [ug/mL] (The mean of the results at pH 7.4)
MDL:	MFCD00041204
LogP:	1.87230

Publication Number	Title	Priority Date
CN-112409264-A	Heterogeneous catalysis N-arylation method	20201130
CN-111606855-A	N-heterocyclic carbene carboxylate bidentate ligand, bidentate ruthenium complex, preparation methods and application of N-heterocyclic carbene carboxylate bidentate ligand and bidentate ruthenium complex in catalysis of carboxylic acid-alkyne addition	20200702
EP-3889204-A1	Method for producing a polyoxyalkylene carbonate polyol	20200402
EP-3885390-A1	Method for producing an ether estol	20200325
WO-2021191069-A1	Method for producing an ether esterol	20200325

PMID	Publication Date	Title	Journal
22590122	20120501	Tetra-kis(1-phenyl-1H-imidazole-κN(3))bis-(thio-cyanato-κN)nickel(II)	Acta crystallographica. Section E, Structure reports online
22390175	20120319	Syntheses and excitation transfer studies of near-orthogonal free-base porphyrin-ruthenium phthalocyanine dyads and pentad	Inorganic chemistry
21842885	20111121	Polyamines are traps for reactive intermediates in furan metabolism	Chemical research in toxicology
21677940	20110807	Pd-carbene catalyzed carbonylation reactions of aryl iodides	Dalton transactions (Cambridge, England : 2003)
21753975	20110401	(η-All-yl)bromido(1-phenyl-1H-imidazole-κN)palladium(II)	Acta crystallographica. Section E, Structure reports online

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GHS Hazard Statement:	H302 (86.67%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	119
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	144.068748264
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	144.068748264
Rotatable Bond Count:	1
Topological Polar Surface Area:	17.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7