Benzoxazole - CAS 273-53-0

Catalog:	BB019542
Product Name:	Benzoxazole
CAS:	273-53-0
Synonyms:	1,3-benzoxazole

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Computed Properties

IUPAC Name:	1,3-benzoxazole
Description:	Benzoxazole (CAS# 273-53-0) is a useful research chemical.
Molecular Weight:	119.12
Molecular Formula:	C7H5NO
Canonical SMILES:	C1=CC=C2C(=C1)N=CO2
InChI:	InChI=1S/C7H5NO/c1-2-4-7-6(3-1)8-5-9-7/h1-5H
InChI Key:	BCMCBBGGLRIHSE-UHFFFAOYSA-N
Boiling Point:	182-182 °C
Melting Point:	27-30 °C
Purity:	98 %
Density:	1.175 g/cm³
Appearance:	Clear to yellow low melting crystals
Storage:	Refrigerator (+4 °C)
MDL:	MFCD00005765
LogP:	1.82780
Vapor Pressure:	0.24 [mmHg]

Publication Number	Title	Priority Date
US-2021147442-A1	Organic compound, electroluminescent material, and application thereof	20201030
US-2021104678-A1	Organic compound, electroluminescent material, and use thereof	20200922
CN-112142673-A	Arylalkenole derivative and preparation method and application thereof	20200918
CN-112194629-A	Phenethyl azole derivative and preparation method and application thereof	20200918
CN-111320574-A	Aryl amide derivative and application thereof	20200325

PMID	Publication Date	Title	Journal
32551645	20200723	2-Arylbenzo[d]oxazole Phosphinate Esters as Second-Generation Modulators of Utrophin for the Treatment of Duchenne Muscular Dystrophy	Journal of medicinal chemistry
31735059	20200501	Tafamidis: A First-in-Class Transthyretin Stabilizer for Transthyretin Amyloid Cardiomyopathy	The Annals of pharmacotherapy
31913401	20200301	Tafamidis-A Pricey Therapy for a Not-So-Rare Condition	JAMA cardiology
31755636	20200203	Chemical Proteomics and Phenotypic Profiling Identifies the Aryl Hydrocarbon Receptor as a Molecular Target of the Utrophin Modulator Ezutromid	Angewandte Chemie (International ed. in English)
31735731	20191225	A Statement on the Appropriate Administration of Tafamidis in Patients With Transthyretin Cardiac Amyloidosis	Circulation journal : official journal of the Japanese Circulation Society

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GHS Hazard Statement:	H228 (10.34%): Flammable solid [Danger Flammable solids]; H302 (77.59%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (93.1%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (93.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (22.41%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P210, P240, P241, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	105
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	119.037113783
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	119.037113783
Rotatable Bond Count:	0
Topological Polar Surface Area:	26
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6