1-Chloro-4-iodobutane

Base Information

• Chemical Name: 1-Chloro-4-iodobutane
• CAS No.: 10297-05-9
• Molecular Formula: C4H8ClI
• Molecular Weight: 218.465
• Hs Code.: 29031980
• European Community (EC) Number: 233-669-4
• UNII: 977ZE83TAE
• DSSTox Substance ID: DTXSID9065029
• Nikkaji Number: J236.752A
• Wikidata: Q81991927
• Mol file: 10297-05-9.mol

Synonyms:1-Chloro-4-iodobutane;10297-05-9;Butane, 1-chloro-4-iodo-;Tetramethylene chloroiodide;4-chlorobutyl iodide;1-Iodo-4-chlorobutane;C4H8ClI;4-chloro-1-iodobutane;EINECS 233-669-4;MFCD00039415;4-Iodobutyl Chloride;1-chloro4-iodobutane;4-iodo-1-chlorobutane;1-Chloro-4-iodo-butane;C4-H8-Cl-I;SCHEMBL874852;977ZE83TAE;1-Chloro-4-iodobutane over Cu;1-Chloro-4-iodobutane, 98%;DTXSID9065029;AMY2538;CHEBI:189107;AKOS005256982;CS-W019348;RS-1012;SY049669;C2713;FT-0607630;EN300-7400494;J-000852;J-802030

Chemical Property of 1-Chloro-4-iodobutane

Chemical Property:

• Appearance/Colour: clear yellow to brown liquid
• Vapor Pressure: 0.643mmHg at 25°C
• Melting Point: 93 °C
• Refractive Index: n20/D 1.54(lit.)
• Boiling Point: 193.6 °C at 760 mmHg
• Flash Point: 70.9 °C
• PSA: 0.00000
• Density: 1.75 g/cm³
• LogP: 2.44040
• Storage Temp.: 2-8°C(protect from light)
• Sensitive.: Light Sensitive
• Solubility.: Chloroform, Ethyl Acetate
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 217.93593
• Heavy Atom Count: 6
• Complexity: 23.5

Purity/Quality:

97% ^*data from raw suppliers

1-Chloro-4-iodobutane 98%(stabilizedwithCopperchip) ^*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: C(CCI)CCl
• General Description: 1-Chloro-4-iodobutane undergoes a transformation in neutral aqueous solution, where its iodine-centered OH-adduct, formed via reaction with OH radicals, rapidly converts (rate constant \( k = 5.4 \times 10^5 \, s^{-1} \)) into an intramolecular radical cation. This contrasts with structurally unfavorable analogs like 1-chloro-5-iodopentane, which instead forms a dimer radical cation due to conformational constraints.

Technology Process of 1-Chloro-4-iodobutane

There total 9 articles about 1-Chloro-4-iodobutane 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%

2-(4-iodobutoxy)tetrahydropyran (41049-30-3) → 1-chloro 4-iodobutane (10297-05-9)

Guidance literature:

With dichloromethylenedimethyliminium chloride; In dichloromethane; at 0 ℃;

DOI:10.1016/S0040-4039(97)00677-1

Reference yield: 75.0%

1,4-dichlorobutane (110-56-5) → 1,4-Diiodobutane (628-21-7) + 1-chloro 4-iodobutane (10297-05-9)

Guidance literature:

With 1-iodo-butane; tetra-(n-butyl)ammonium iodide; at 105 - 141 ℃; for 6h; Yields of byproduct given;

DOI:10.1021/jo00241a045

Reference yield: 60.0%

1,4-dichlorobutane (110-56-5) → 1-chloro 4-iodobutane (10297-05-9)

Guidance literature:

With sodium iodide; In acetone; Inert atmosphere;

DOI:10.1021/ol8029017

upstream raw materials:

4-chlorobutyl methanesulfonate

4-chlorobutyl 4-methylbenzenesulfonate

1,4-dichlorobutane

4-Chloro-1-butanol

Downstream raw materials:

1-chloro-5-hexyne

1-chloro-5-decyne

C₉H₁₈N₂O

(5-Chloro-1-{[1-phenyl-meth-(E)-ylidene]-amino}-pentyl)-phosphonic acid diethyl ester