Skip to the beginning of the images gallery

2，6-Diisopropyl-4-phenoxyaniline - ≥97%, high purity , CAS No.80058-85-1

COA

Grade & Purity:

≥97%

Cas Number: 80058-85-1
PubChem CID: 13272139

In stock

Item Number

D727418

Grouped product items
SKU	Size	Availability	Price	Qty
D727418-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,605.90
D727418-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,727.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Diphenylethers

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Diphenylethers
Intermediate Tree Nodes	Not available
Direct Parent	Diphenylethers
Alternative Parents	Diarylethers Phenylpropanes Cumenes Phenoxy compounds Phenol ethers Aniline and substituted anilines Primary amines Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Diphenylether - Diaryl ether - Cumene - Phenylpropane - Aniline or substituted anilines - Phenol ether - Phenoxy compound - Ether - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Organic oxygen 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	Not available
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. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	4-phenoxy-2,6-di(propan-2-yl)aniline
INCHI	InChI=1S/C18H23NO/c1-12(2)16-10-15(11-17(13(3)4)18(16)19)20-14-8-6-5-7-9-14/h5-13H,19H2,1-4H3
InChIKey	WRBGLNGTYOVAJO-UHFFFAOYSA-N
Smiles	CC(C)C1=CC(=CC(=C1N)C(C)C)OC2=CC=CC=C2
Isomeric SMILES	CC(C)C1=CC(=CC(=C1N)C(C)C)OC2=CC=CC=C2
Alternate CAS	80058-85-1
PubChem CID	13272139

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	269.400 g/mol
XLogP3	4.700
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	269.178 Da
Monoisotopic Mass	269.178 Da
Topological Polar Surface Area	35.300 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	265.000
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

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration