2-Phenyl-2-oxazoline - CAS 7127-19-7

Catalog:	BB034346
Product Name:	2-Phenyl-2-oxazoline
CAS:	7127-19-7
Synonyms:	2-phenyl-4,5-dihydro-1,3-oxazole

Technical Data

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Computed Properties

IUPAC Name:	2-phenyl-4,5-dihydro-1,3-oxazole
Description:	2-Phenyl-2-oxazoline (CAS# 7127-19-7) is a useful research chemical.
Molecular Weight:	147.17
Molecular Formula:	C9H9NO
Canonical SMILES:	C1COC(=N1)C2=CC=CC=C2
InChI:	InChI=1S/C9H9NO/c1-2-4-8(5-3-1)9-10-6-7-11-9/h1-5H,6-7H2
InChI Key:	ZXTHWIZHGLNEPG-UHFFFAOYSA-N
Boiling Point:	75 °C0.3 mmHg (lit.)
Melting Point:	12 °C (lit.)
Purity:	95 %
Density:	1.118 g/mL at 25 °C (lit.)
Appearance:	Liquid or low mp solid
Storage:	Refrigerator
MDL:	MFCD00075541
LogP:	0.89900

Publication Number	Title	Priority Date
WO-2021112095-A1	Liquid crystal aligning agent, liquid crystal alignment film, liquid crystal display element and method for producing liquid crystal display element	20191206
US-2021171529-A1	Heterocyclic compounds as delta-5 desaturase inhibitors and methods of use	20191125
WO-2021108404-A1	Heterocyclic compounds as delta-5 desaturase inhibitors and methods of use	20191125
WO-2021070912-A1	Polyimide resin composition, polyimide varnish, and polyimide film	20191011
WO-2021060439-A1	Heterobifunctional monodispersed polyethylene glycol having peptide linker	20190926

PMID	Publication Date	Title	Journal
22890507	20120828	Cyclometallation of arylimines and nitrogen-containing heterocycles via room-temperature C-H bond activation with arene ruthenium(II) acetate complexes	Dalton transactions (Cambridge, England : 2003)
21932286	20111115	Synthesis of poly(2-oxazoline)-based hydrogels with tailor-made swelling degrees capable of stimuli-triggered compound release	Macromolecular rapid communications
21905995	20110901	Characterisation of different nanoparticles with a potential use for drug delivery in neuropsychiatric disorders	The world journal of biological psychiatry : the official journal of the World Federation of Societies of Biological Psychiatry
21617802	20110707	Solute-solvent friction kernels and solution properties of methyl oxazoline-phenyl oxazoline (MeOx-PhOx) copolymers in binary ethanol-water mixtures	Physical chemistry chemical physics : PCCP
21581470	20081220	The first oxazoline adduct of Zn(acac)(2): bis-(acetyl-acetonato-κO,O')(2-phenyl-2-oxazoline-κN)zinc(II)	Acta crystallographica. Section E, Structure reports online

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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:	159
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	147.068413911
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	147.068413911
Rotatable Bond Count:	1
Topological Polar Surface Area:	21.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5