2-Phenylbenzoxazole - CAS 833-50-1

Catalog:	BB037018
Product Name:	2-Phenylbenzoxazole
CAS:	833-50-1
Synonyms:	2-phenyl-1,3-benzoxazole

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Computed Properties

IUPAC Name:	2-phenyl-1,3-benzoxazole
Description:	2-Phenylbenzoxazole (CAS# 833-50-1) is a useful research chemical.
Molecular Weight:	195.22
Molecular Formula:	C13H9NO
Canonical SMILES:	C1=CC=C(C=C1)C2=NC3=CC=CC=C3O2
InChI:	InChI=1S/C13H9NO/c1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13/h1-9H
InChI Key:	FIISKTXZUZBTRC-UHFFFAOYSA-N
Boiling Point:	295.1 °C
Melting Point:	100-103 °C
Purity:	95 %
Density:	1.184 g/cm³
Appearance:	White solid, powder or crystals
Storage:	Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
MDL:	MFCD00012183
LogP:	3.49480

Publication Number	Title	Priority Date
WO-2021116820-A1	An improved process for the preparation of benoxaprofen	20191210
WO-2021086107-A1	Method for determining reactivity to parp inhibitor	20191030
WO-2021060865-A1	Heterocyclic compound and organic light-emitting device comprising same	20190927
WO-2021047905-A1	Topical compositions	20190911
WO-2021048235-A1	Treatment of hr deficient cancer	20190910

PMID	Publication Date	Title	Journal
22695128	20120715	Conformation study of 2-arylbenzimidazoles as inhibitors of Chlamydia pneumoniae growth	Bioorganic & medicinal chemistry letters
22652052	20120701	Synthesis and biological evaluation of novel technetium-99m labeled phenylbenzoxazole derivatives as potential imaging probes for β-amyloid plaques in brain	Bioorganic & medicinal chemistry letters
22334566	20120312	Synthesis and characterization of new iridium photosensitizers for catalytic hydrogen generation from water	Chemistry (Weinheim an der Bergstrasse, Germany)
22128833	20120110	Facile access to highly fluorescent nanofibers and microcrystals via reprecipitation of 2-phenyl-benzoxazole derivatives	Langmuir : the ACS journal of surfaces and colloids
17401562	20070701	Synthesis of highly hydroxylated aromatics by evolved biphenyl dioxygenase and subsequent dihydrodiol dehydrogenase	Applied microbiology and biotechnology

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	213
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	195.068413911
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	195.068413911
Rotatable Bond Count:	1
Topological Polar Surface Area:	26 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.4