Diphenyl ether - CAS 101-84-8

Catalog:	BB000670
Product Name:	Diphenyl ether
CAS:	101-84-8
Synonyms:	Diphenyl oxide; Phenyl ether; Oxydibenzene; 1,1'-oxydibenzene; Biphenyl oxide

Technical Data

IUPAC Name:	phenoxybenzene
Description:	Diphenyl oxide is used in the manufacture of spices and dyes.
Molecular Weight:	170.21
Molecular Formula:	C12H10O
Canonical SMILES:	C1=CC=C(C=C1)OC2=CC=CC=C2
InChI:	InChI=1S/C12H10O/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H
InChI Key:	USIUVYZYUHIAEV-UHFFFAOYSA-N
Boiling Point:	259 ℃
Melting Point:	26-30 ℃
Flash Point:	115ºC
Purity:	95 %
Density:	1.073 g/cm³
Appearance:	Clear pale yellowish liquid after melting
Storage:	2-8 ℃
Decomposition:	When heated to decomposition it emits acrid smoke and irritating fumes
MDL:	MFCD00003034
LogP:	3.47890
Refractive Index:	1.5795-1.5815
Stability:	Stable under recommended storage conditions
Vapor Pressure:	<1 mm Hg ( 20 °C)

GHS Hazard Statement:	H319 (81.41%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement:	P264, P273, P280, P305+P351+P338, P337+P313, P391, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
US-10982082-B1	Conductive nanocomposite having a dual temperature coefficient of resistance and a method of preparing	20200817
EP-3786211-A1	Curable composition and cured composition prepared therefrom	20200228
EP-3733637-A1	Method for recovering acrylic acid	20200225
EP-3842444-A1	Organometallic compound, organic light-emitting device including the same and electronic apparatus including the organic light-emitting device	20191224
US-2021191261-A1	Organically modified metal oxide nanoparticles, organically modified metal oxide nanoparticles-containing solution, organically modified metal oxide nanoparticles-containing resist composition, and resist pattern forming method	20191224

PMID	Publication Date	Title	Journal
31026035	20190405	Association of Exposure to Persistent Organic Pollutants With Mortality Risk: An Analysis of Data From the Prospective Investigation of Vasculature in Uppsala Seniors (PIVUS) Study	JAMA network open
30118192	20190101	Design, synthesis, and evaluation of novel diphenyl ether derivatives against drug-susceptible and drug-resistant strains of\xa0Mycobacterium tuberculosis	Chemical biology & drug design
29205417	20180501	Inhibition of germinal vesicle breakdown in Xenopus oocytes in vitro by a series of substituted glycol ethers	Journal of applied toxicology : JAT
28927721	20180201	Agonistic effects of diverse xenobiotics on the constitutive androstane receptor as detected in a recombinant yeast-cell assay	Toxicology in vitro : an international journal published in association with BIBRA
27775177	20161101	Recent Advances and Structural Features of Enoyl-ACP Reductase Inhibitors of Mycobacterium tuberculosis	Archiv der Pharmazie

Complexity:	116
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	170.073164938
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	170.073164938
Rotatable Bond Count:	2
Topological Polar Surface Area:	9.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.2