4-Iodo-1,2-dimethylbenzene

Base Information

• Chemical Name: 4-Iodo-1,2-dimethylbenzene
• CAS No.: 31599-61-8
• Molecular Formula: C8H9I
• Molecular Weight: 232.064
• Hs Code.: 29039990
• European Community (EC) Number: 628-993-1
• DSSTox Substance ID: DTXSID00185482
• Nikkaji Number: J267.266I
• Wikidata: Q72483562
• Mol file: 31599-61-8.mol

Synonyms:4-Iodo-1,2-dimethylbenzene;31599-61-8;4-Iodo-o-xylene;1,2-Dimethyl-4-iodobenzene;Benzene, 4-iodo-1,2-dimethyl-;3,4-dimethyliodobenzene;1-Iodo-3,4-dimethylbenzene;MFCD00040989;4-IODO-ORTHO-XYLENE;4-iodo-orthoxylene;4-iodo-0-xylene;Iodo-1,2-dimethylbenzene;4-Jod-1.2-dimethylbenzol;3,4-dimethyl-1-iodobenzene;SCHEMBL78699;4-iodo-1,2-dimethyl-benzene;4-Iodo-1,2-dimethylbenzene #;AMY9665;DTXSID00185482;1-Iodo-3,4-dimethylbenzene, 99%;AKOS005145656;CS-W016764;3,4-Dimethyliodobenzene 4-Iodo-o-xylene;DS-18274;SY029574;FT-0618799;I0560;EN300-106932;A820921

Chemical Property of 4-Iodo-1,2-dimethylbenzene

Chemical Property:

• Appearance/Colour: clear yellow to red-brown liquid
• Vapor Pressure: 0.0912mmHg at 25°C
• Melting Point: -2.9°C (estimate)
• Refractive Index: n20/D 1.603(lit.)
• Boiling Point: 232.1 °C at 760 mmHg
• Flash Point: 100.5 °C
• PSA: 0.00000
• Density: 1.61 g/cm³
• LogP: 2.90800
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Sensitive.: Light Sensitive
• 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:

99% ^*data from raw suppliers

4-Iodo-1,2-dimethylbenzene ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1)I)C
• Uses: 1-Iodo-3,4-dimethylbenzene (4-iodo-o-xylene, 3,4-dimethyliodobenzene) may be used in the synthesis of the following:3-arylacrylamide3,3-diaryl substituted acrylamide3-arylpropylaminedi-tert-butyl 1-(3,4-dimethylphenyl)hydrazine-1,2-dicarboxylate2,3,7,8-tetramethyldibenzofuran N-(3-(3,4-Dimethylphenyl)-2-phthalimidopropionyl)-2-methylthioaniline

Technology Process of 4-Iodo-1,2-dimethylbenzene

There total 10 articles about 4-Iodo-1,2-dimethylbenzene 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%

o-xylene (95-47-6) → 3,4-dimethyliodobenzene (31599-61-8)

Guidance literature:

With iodine; In acetonitrile; at 40 ℃; for 1h;

DOI:10.4314/bcse.v28i2.15

Reference yield: 86.0%

4-amino-o-xylene (95-64-7) → 3,4-dimethyliodobenzene (31599-61-8)

Guidance literature:

4-amino-o-xylene; With sulfuric acid; In water; acetonitrile; at 5 - 10 ℃; for 0.583333h;

With sodium nitrite; In water; acetonitrile; at 0 - 5 ℃; for 0.5h;

With potassium iodide; In water; acetonitrile; at 7 - 13 ℃; for 2h;

Reference yield: 45.0%

(4,5-dimethylcyclohexa-1,4-dienyl)trimethylsilane (75612-61-2) → 3,4-dimethyliodobenzene (31599-61-8)

Guidance literature:

With N-iodo-succinimide; In acetonitrile; at 20 ℃; for 24h;

DOI:10.1021/acs.orglett.5b00306

upstream raw materials:

o-xylene

iodine

nitric acid

acetic acid

Downstream raw materials:

1,2-diiodo-4,5-dimethyl-benzene

1-bromo-2-chloro-4,5-dimethyl-benzene

4-iodyl-1,2-dimethyl-benzene

3,4-dimethyl-1-(phenylsulphonyl)benzene