1-Iodohexane

Base Information

• Chemical Name: 1-Iodohexane
• CAS No.: 638-45-9
• Molecular Formula: C6H13I
• Molecular Weight: 212.074
• Hs Code.: 29033080
• European Community (EC) Number: 211-339-0,247-034-4
• NSC Number: 9251
• UNII: 27F4BFU2DR
• DSSTox Substance ID: DTXSID2049341
• Nikkaji Number: J6.925F
• Wikidata: Q17996363
• ChEMBL ID: CHEMBL3188734
• Mol file: 638-45-9.mol

Synonyms:1-IODOHEXANE;638-45-9;Hexyl iodide;n-Hexyl iodide;Hexane, 1-iodo-;1-Hexyl iodide;IODOHEXANE;1-iodo-hexane;1-iodo-n-hexane;NSC 9251;EINECS 211-339-0;27F4BFU2DR;25495-92-5;DTXSID2049341;NSC-9251;EINECS 247-034-4;MFCD00001102;n-hexyliodide;iodo-hexane;C6H13I;6-iodohexane;1 -iodohexane;1-Iodo Hexane;Hexane,1-iodo-;1-IODOHEPXANE;UNII-27F4BFU2DR;n-C6H13I;SCHEMBL189651;CHEMBL3188734;DTXCID2029298;ANOOTOPTCJRUPK-UHFFFAOYSA-;NSC9251;Tox21_202862;BBL011465;STL146577;AKOS000119807;NCGC00260408-01;1-Iodohexane, purum, >=97.0% (GC);CAS-638-45-9;LS-75133;VS-02954;1-Iodohexane contains copper as stabilizer;CS-0132388;FT-0607963;I0059;EN300-19977;F20355;A834555;J-802255;1-Iodohexane, contains copper as stabilizer, >=98%;F8880-7919

Chemical Property of 1-Iodohexane

Chemical Property:

• Appearance/Colour: Clear liquid.
• Melting Point: -75°C
• Refractive Index: n20/D 1.492(lit.)
• Boiling Point: 181.2 °C at 760 mmHg
• Flash Point: 61.1 °C
• PSA: 0.00000
• Density: 1.437
• LogP: 3.00170
• Storage Temp.: Store under Nitrogen
• Sensitive.: Light Sensitive/Air Sensitive/
• Solubility.: Chloroform, Methanol
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 4
• Exact Mass: 212.00620
• Heavy Atom Count: 7
• Complexity: 27.4

Purity/Quality:

97% ^*data from raw suppliers

1-Iodohexane ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn; N
• Hazard Codes: Xn,N
• Statements: 22-37/38-41-51/53
• Safety Statements: 26-36/37/39-61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCCI
• Uses: 1-Iodohexane (cas# 638-45-9) is a compound useful in organic synthesis.

Technology Process of 1-Iodohexane

There total 33 articles about 1-Iodohexane 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: 94.0%

hexan-1-ol (111-27-3) → 1-Iodohexane (638-45-9)

Guidance literature:

With 1H-imidazole; iodine; triphenylphosphine; In dichloromethane; at 20 ℃; for 3h; Inert atmosphere;

DOI:10.1002/anie.201905986

Reference yield: 86.0%

perchlorate de n-hexyldiphenylsulfonium → 1-Iodohexane (638-45-9)

Guidance literature:

With potassium iodide; In dichloromethane; water; at 20 ℃; for 0.15h;

Reference yield: 80.3%

hexanal (66-25-1) → 1-Iodohexane (638-45-9)

Guidance literature:

With diiodosilane; iodine; In dichloromethane; for 2h; Ambient temperature;

DOI:10.1021/jo00296a068

upstream raw materials:

1-phenoxyhexane

n-hexyl nitrate

hexan-1-ol

1-hexene

Downstream raw materials:

4-Methyl-7-O-hexylcoumarin

N-hexylcyclohexanamine

4-(hexyloxy)benzaldehyde

1,4-Dihexyloxy-2,3,5,6-tetramethylbenzol