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4-Iodo-2，6-dimethylaniline hydrochloride - ≥97%, high purity , CAS No.138385-59-8

COA

Grade & Purity:

≥97%

Cas Number: 138385-59-8
Molecular Weight: 283.54
PubChem CID: 57348210

In stock

Item Number

I734117

Grouped product items
SKU	Size	Availability	Price	Qty
I734117-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$40.90

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Xylenes
Intermediate Tree Nodes	Not available
Direct Parent	m-Xylenes
Alternative Parents	Aniline and substituted anilines Iodobenzenes Aryl iodides Primary amines Organopnictogen compounds Organoiodides Hydrochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	M-xylene - Aniline or substituted anilines - Halobenzene - Iodobenzene - Aryl halide - Aryl iodide - Amine - Primary amine - Organonitrogen compound - Organoiodide - Organohalogen compound - Hydrochloride - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as m-xylenes. These are aromatic compounds that contain a m-xylene moiety, which is a monocyclic benzene carrying exactly two methyl groups at the 1- and 3-positions.
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-iodo-2,6-dimethylaniline;hydrochloride
INCHI	InChI=1S/C8H10IN.ClH/c1-5-3-7(9)4-6(2)8(5)10;/h3-4H,10H2,1-2H3;1H
InChIKey	XBJAHWCOSKIEGP-UHFFFAOYSA-N
Smiles	CC1=CC(=CC(=C1N)C)I.Cl
Isomeric SMILES	CC1=CC(=CC(=C1N)C)I.Cl
PubChem CID	57348210
Molecular Weight	283.54

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	283.540 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	282.962 Da
Monoisotopic Mass	282.962 Da
Topological Polar Surface Area	26.000 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	104.000
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	2

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