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4-(2-methylphenoxy)aniline - Reagent Grade, high purity , CAS No.56705-83-0

COA

Grade & Purity:

Reagent Grade

Cas Number: 56705-83-0
Molecular Weight: 199.24
MDL number: MFCD02663364
PubChem CID: 92505

In stock

Item Number

M479189

Grouped product items
SKU	Size	Availability	Price	Qty
M479189-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$153.90

Basic Description

Synonyms	EN300-236267 \| SCHEMBL554682 \| 4-(o-Tolyloxy)aniline \| DTXSID70205267 \| 4-(2-methylphenoxy)aniline \| [4-(2-methylphenoxy)phenyl]amine \| F9995-0150 \| MFCD02663364 \| AKOS000113290 \| 4-o-tolyloxyphenylamine \| AK-918/40788882 \| EINECS 260-349-1 \| PS-8228 \| Be
Specifications & Purity	Reagent grade
Grade	Reagent Grade

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 Phenoxy compounds Phenol ethers Aniline and substituted anilines Toluenes Primary amines Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Diphenylether - Diaryl ether - Phenoxy compound - Phenol ether - Aniline or substituted anilines - Toluene - Ether - Amine - Hydrocarbon derivative - Primary amine - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen 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-(2-methylphenoxy)aniline
INCHI	InChI=1S/C13H13NO/c1-10-4-2-3-5-13(10)15-12-8-6-11(14)7-9-12/h2-9H,14H2,1H3
InChIKey	JPCCVWJJMUIBJR-UHFFFAOYSA-N
Smiles	CC1=CC=CC=C1OC2=CC=C(C=C2)N
Isomeric SMILES	CC1=CC=CC=C1OC2=CC=C(C=C2)N
Molecular Weight	199.24
Reaxy-Rn	2100177
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2100177&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	199.250 g/mol
XLogP3	3.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	199.1 Da
Monoisotopic Mass	199.1 Da
Topological Polar Surface Area	35.300 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	187.000
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

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