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5-Iodo-2-methylaniline - 98%, high purity , CAS No.83863-33-6

COA

Grade & Purity:

≥98%

Cas Number: 83863-33-6
Molecular Weight: 233.05
EC Number: 281-094-2
MDL number: MFCD00051531
PubChem CID: 522802
PubChem SID: 504759129

In stock

Item Number

I113818

Grouped product items
SKU	Size	Availability	Price
I113818-1g	1g	3	$26.90
I113818-5g	5g	2	$102.90
I113818-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$184.90
I113818-25g	25g	1	$361.90
I113818-100g	100g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$1,299.90

View related series

Halogenated heterocyclic block (1171) Pyridines (1259)

Basic Description

Synonyms	3-Iodo-6-methylaniline \| 5-Iodo-2-methylaniline, 97% \| I1021 \| AC-3744 \| DS-0913 \| FT-0620518 \| ZFH45ZPW2Q \| A840672 \| EINECS 281-094-2 \| STL554373 \| AM20050550 \| 2-Amino-4-iodotoluene \| 5-Iodo-2-methyl-phenylamine \| 5-Iodo-2-methylaniline # \| EN300-88614
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	504759129
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504759129
IUPAC Name	5-iodo-2-methylaniline
INCHI	InChI=1S/C7H8IN/c1-5-2-3-6(8)4-7(5)9/h2-4H,9H2,1H3
InChIKey	IOEHXNCBPIBDBZ-UHFFFAOYSA-N
Smiles	CC1=C(C=C(C=C1)I)N
Isomeric SMILES	CC1=C(C=C(C=C1)I)N
WGK Germany	3
UN Number	2811
Molecular Weight	233.05
Reaxy-Rn	2078769
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2078769&ln=

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

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

Analytical Chart:

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4 results found

Lot Number	Certificate Type	Date	Item
K1928105	Certificate of Analysis	Jun 06, 2023	I113818
D23142311	Certificate of Analysis	Apr 27, 2023	I113818
K1709084	Certificate of Analysis	Mar 10, 2023	I113818
J1422080	Certificate of Analysis	Jan 05, 2023	I113818

Chemical and Physical Properties

Solubility	Soluble in Methanol
Sensitivity	Light & air sensitive.
Flash Point(°F)	>230 °F
Flash Point(°C)	110 °C
Boil Point(°C)	273°C
Melt Point(°C)	48-52°C
Molecular Weight	233.050 g/mol
XLogP3	2.100
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

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