5-Iodo-2-methylaniline

Base Information

• Chemical Name: 5-Iodo-2-methylaniline
• CAS No.: 83863-33-6
• Molecular Formula: C7H8IN
• Molecular Weight: 233.052
• Hs Code.: 2921430090
• European Community (EC) Number: 281-094-2
• UNII: ZFH45ZPW2Q
• DSSTox Substance ID: DTXSID50232753
• Nikkaji Number: J326.923J
• Wikidata: Q72483858
• Mol file: 83863-33-6.mol

Synonyms:5-Iodo-2-methylaniline;83863-33-6;2-Amino-4-iodotoluene;5-Iodo-o-toluidine;Benzenamine, 5-iodo-2-methyl-;5-Iodo-2-methyl-phenylamine;Benzenamine,5-iodo-2-methyl-;5-iodo-2-methylbenzenamine;MFCD00051531;EINECS 281-094-2;5-iodo-2-methyl-aniline;2-methyl-5-iodoaniline;3-Iodo-6-methylaniline;ZFH45ZPW2Q;5-Iodo-2-methylaniline #;5-iodanyl-2-methyl-aniline;SCHEMBL616552;(5-iodo-2-methylphenyl)amine;5-Iodo-2-methylaniline, 97%;DTXSID50232753;BBL100579;CL8452;STL554373;AKOS005254698;AC-3744;CS-W012931;DS-0913;PS-4407;SB73976;SY019034;AM20050550;FT-0620518;I1021;EN300-88614;A840672;Z414834730

Chemical Property of 5-Iodo-2-methylaniline

Chemical Property:

• Appearance/Colour: WHITE TO TAN POWDER, CRYSTALS Crystalline Powder and/or Chunks
• Vapor Pressure: 0.00272mmHg at 25°C
• Melting Point: 48-52 °C(lit.)
• Refractive Index: 1.663
• Boiling Point: 285.9 °C at 760 mmHg
• PKA: 3.49±0.10(Predicted)
• Flash Point: 126.7 °C
• PSA: 26.02000
• Density: 1.791 g/cm³
• LogP: 2.76300
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Sensitive.: Light Sensitive
• Solubility.: soluble in Methanol
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 232.97015
• Heavy Atom Count: 9
• Complexity: 94.9

Purity/Quality:

96% 1H NMR ^*data from raw suppliers

5-Iodo-2-methylaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 25-37/38-41-43
• Safety Statements: 26-36/37-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1)I)N

Technology Process of 5-Iodo-2-methylaniline

There total 2 articles about 5-Iodo-2-methylaniline which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 95.0%

4-iodo-2-nitrotoluene (41252-97-5) → 5-iodo-o-toluidine (83863-33-6)

Guidance literature:

With ammonium acetate; platinum, sulfided; In ethanol; for 12h; Heating / reflux;

Reference yield:

4-Methyl-3-nitroanilin (119-32-4) → 5-iodo-o-toluidine (83863-33-6)

Guidance literature:

Multi-step reaction with 2 steps

1: Diazotization_.Behandlung der Diazoniumsulfatloesung mit Jodwasserstoffsaeure

2: durch Reduktion

Reference yield: 97.0%

5-iodo-o-toluidine (83863-33-6) → 4-bromo-5-iodo-2-methylaniline

Guidance literature:

With N-Bromosuccinimide; In N,N-dimethyl-formamide; at -8 - -3 ℃; for 0.916667h; Temperature;

upstream raw materials:

4-iodo-2-nitrotoluene

4-Methyl-3-nitroanilin

Downstream raw materials:

3-hydroxy-4-methyliodobenzene

C₁₉H₂₃I₂N₄O₃P

5-(2-chloro-phenyl)-3-(5-iodo-2-methyl-anilinomethyl)-3H-[1,3,4]oxadiazole-2-thione

1-(5-iodo-2-methylphenyl)-2,5-dimethyl-1H-pyrrole

Refernces

• 1、 -. "LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS". Page/Page column 302-303. . Retrieved 2008/06/13.