Skip to the beginning of the images gallery

3-Iodo-4-methylaniline - >98.0%, high purity , CAS No.35944-64-0

COA

Grade & Purity:

≥98%

Cas Number: 35944-64-0
Molecular Weight: 233.05
Beilstein Registry Number: 12(2)533
MDL number: MFCD00047843
PubChem CID: 118889
PubChem SID: 488187593

In stock

Item Number

I157695

Grouped product items
SKU	Size	Availability	Price
I157695-1g	1g	5	$9.90
I157695-5g	5g	4	$31.90
I157695-10g	10g	4	$56.90
I157695-25g	25g	2	$101.90
I157695-100g	100g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$325.90

View related series

Nitrogenous compounds (2445) Non heterocyclic block (8163)

Basic Description

Synonyms	p-Toluidine, 3-iodo- \| 3-iodo-4-methyl-phenylamine \| I0717 \| BRN 2353567 \| EINECS 252-803-2 \| SCHEMBL18144 \| RRUDMHNAMZFNEK-UHFFFAOYSA-N \| 3-iodo-p-toluidin;3-iodo-p-toluidine;(3-iodo-4-methyl-phenyl)amine \| MFCD00047843 \| 3-Iodo-4-methylphenyl amine \| 3-
Specifications & Purity	≥98%
Storage Temp	Argon charged
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Toluenes
Intermediate Tree Nodes	Not available
Direct Parent	Aminotoluenes
Alternative Parents	Aniline and substituted anilines Iodobenzenes Aryl iodides Primary amines Organopnictogen compounds Organoiodides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Aminotoluene - Aniline or substituted anilines - Iodobenzene - Halobenzene - Aryl iodide - Aryl halide - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organoiodide - Organohalogen compound - Amine - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as aminotoluenes. These are organic aromatic compounds containing a benzene that carries a single methyl group and one amino 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

Pubchem Sid	488187593
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488187593
IUPAC Name	3-iodo-4-methylaniline
INCHI	InChI=1S/C7H8IN/c1-5-2-3-6(9)4-7(5)8/h2-4H,9H2,1H3
InChIKey	RRUDMHNAMZFNEK-UHFFFAOYSA-N
Smiles	CC1=C(C=C(C=C1)N)I
Isomeric SMILES	CC1=C(C=C(C=C1)N)I
WGK Germany	3
RTECS	XU7700000
Molecular Weight	233.05
Beilstein	12(2)533
Reaxy-Rn	2353567
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2353567&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

5 results found

Lot Number	Certificate Type	Date	Item
G2113179	Certificate of Analysis	Apr 18, 2023	I157695
G2113183	Certificate of Analysis	Apr 18, 2023	I157695
G2113182	Certificate of Analysis	Apr 18, 2023	I157695
G2113184	Certificate of Analysis	Apr 18, 2023	I157695
G2113181	Certificate of Analysis	Apr 18, 2023	I157695

Chemical and Physical Properties

Solubility	Insoluble in water.
Sensitivity	Air & Light Sensitive
Melt Point(°C)	32 °C
Molecular Weight	233.050 g/mol
XLogP3	2.300
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	232.97 Da
Monoisotopic Mass	232.97 Da
Topological Polar Surface Area	26.000 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	94.900
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