4-Iodo-m-xylene

Base Information

• Chemical Name: 4-Iodo-m-xylene
• CAS No.: 4214-28-2
• Molecular Formula: C8H9I
• Molecular Weight: 232.064
• Hs Code.: 29039990
• European Community (EC) Number: 224-141-4
• NSC Number: 3780
• UNII: L963Q2G47M
• DSSTox Substance ID: DTXSID1063356
• Nikkaji Number: J104.343I
• Wikidata: Q72470697
• Mol file: 4214-28-2.mol

Synonyms:4-Iodo-m-xylene;4214-28-2;1-Iodo-2,4-dimethylbenzene;2,4-Dimethyliodobenzene;1,3-Dimethyl-4-iodobenzene;m-Xylene, 4-iodo-;Benzene, 1-iodo-2,4-dimethyl-;2,4-dimethyl-1-iodobenzene;2-iodo-1,5-dimethylbenzene;NSC 3780;NSC-3780;EINECS 224-141-4;MFCD00013706;iodo-m-xylene;NSC3780;4-Jod-m-xylol;4-Iodo-1,3-dimethylbenzene;1-iodo-2,4-dimethyl-benzen;1-iodo-2,4-dimethyl-benzene;4-Iodo-1,3-dimethyl benzene;SCHEMBL1010343;DTXSID1063356;1-iodanyl-2,4-dimethyl-benzene;L963Q2G47M;AMY28289;BCP09622;AKOS009158933;AS-17984;SY017104;CS-0128696;FT-0618795;I0561;EN300-261350;F18834;A825787

Chemical Property of 4-Iodo-m-xylene

Chemical Property:

• Appearance/Colour: clear yellow liquid
• Vapor Pressure: 0.128mmHg at 25°C
• Melting Point: -2.9°C (estimate)
• Refractive Index: n20/D 1.598(lit.)
• Boiling Point: 225.69 °C at 760 mmHg
• Flash Point: 97.145 °C
• PSA: 0.00000
• Density: 1.611 g/cm³
• LogP: 2.90800
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Sensitive.: Light Sensitive
• Water Solubility.: Not miscible or difficult to mix in water.
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 231.97490
• Heavy Atom Count: 9
• Complexity: 90.6

Purity/Quality:

97% ^*data from raw suppliers

4-Iodo-m-xylene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,C
• Hazard Codes: Xi,C
• Statements: 36/37/38
• Safety Statements: 26-36-24/25-37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)I)C
• Uses: 4-Iodo-m-xylene is a reactant used in the preparation of paralog-selective Hsp90 inhibitors.

Technology Process of 4-Iodo-m-xylene

There total 16 articles about 4-Iodo-m-xylene 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%

m-xylene (108-38-3,104809-90-7) → 1-iodo-2,4-dimethylbenzene (4214-28-2)

Guidance literature:

With sodium dodecyl-sulfate; sodium iodide; Ce(OH)3OOH; at 20 ℃; for 2h;

DOI:10.1002/adsc.200505222

Reference yield: 85.0%

o-xylene (95-47-6) → 1-iodo-2,4-dimethylbenzene (4214-28-2)

Guidance literature:

With N-iodo-succinimide; hydroxy(tosyloxy)iodobenzene; In methanol; Ambient temperature;

DOI:10.1055/s-1993-25839

Reference yield: 84.0%

2,4-dimethylbenzenediazonium tetrafluoroborate → 1-iodo-2,4-dimethylbenzene (4214-28-2)

Guidance literature:

With potassium iodide; In water; at 25 ℃; for 0.0833333h; Solvent;

DOI:10.2174/1570178614666170907120329

upstream raw materials:

m-xylene

2,4-Xylidine

o-xylene

nitric acid

Downstream raw materials:

(2,4-dimethylphenyl)-λ³-iodanediyl diacetate

(ph-2,4-me2)Si(Oet)3

4,6,2',4'-tetramethyl-biphenyl-2-sulfonic acid phenyl ester

4,6-diiodo-1,3-xylene