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Diphenyl ether - 98%, high purity , CAS No.101-84-8
Basic Description
Synonyms
DIPHENYL ETHER | Diphenyl oxide | 101-84-8 | Phenyl ether | Phenoxybenzene | Oxydibenzene | Benzene, 1,1'-oxybis- | Phenyl oxide | Oxybisbenzene | 1,1'-oxydibenzene | Biphenyl oxide | Diphenylether | Oxydiphenyl | Geranium crystals | Ether, diphenyl- | Chemcryl JK-EB | Benzene, phenoxy-
Specifications & Purity
≥98%
Storage Temp
Desiccated
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Diphenylethers
Intermediate Tree Nodes
Not available
Direct Parent
Diphenylethers
Alternative Parents
Polyphenyl ethers Diarylethers Phenoxy compounds Phenol ethers Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Diphenylether - Polyphenyl ether - Diaryl ether - Phenoxy compound - Phenol ether - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group.
External Descriptors
aromatic ether
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(Human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
phenoxybenzene
INCHI
InChI=1S/C12H10O/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H
InChIKey
USIUVYZYUHIAEV-UHFFFAOYSA-N
Smiles
C1=CC=C(C=C1)OC2=CC=CC=C2
Isomeric SMILES
C1=CC=C(C=C1)OC2=CC=CC=C2
WGK Germany
2
RTECS
KN8970000
UN Number
3077(international)
Packing Group
III
Molecular Weight
170.21
Beilstein
1364620
Reaxy-Rn
1364620
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1364620&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Not soluble in water, but miscible with most organic solvents such as alcohols and ethers.
Freezing Point(°C)
27 °C
Refractive Index
1.579
Flash Point(°F)
239℉
Flash Point(°C)
115℃
Boil Point(°C)
258°C
Melt Point(°C)
27°C
Molecular Weight
170.210 g/mol
XLogP3
4.200
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
2
Exact Mass
170.073 Da
Monoisotopic Mass
170.073 Da
Topological Polar Surface Area
9.200 Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
116.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
Citations of This Product
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94 Citations
D2517411