1-Iodobutane

Base Information

• Chemical Name: 1-Iodobutane
• CAS No.: 542-69-8
• Molecular Formula: C4H9I
• Molecular Weight: 184.02
• Hs Code.: 29033080
• European Community (EC) Number: 208-824-4
• NSC Number: 8420
• UNII: 607A6CC46R
• DSSTox Substance ID: DTXSID70862157
• Nikkaji Number: J2.644A
• Wikipedia: Butyl_iodide
• Wikidata: Q2537889
• Mol file: 542-69-8.mol

Synonyms:Butyl iodide;1-Iodobutane Butyl iodide;1-Butyliodide;Butane,1-iodo-;1-Jodbutan [Czech];

Chemical Property of 1-Iodobutane

Chemical Property:

• Appearance/Colour: liquid
• Vapor Pressure: 11.7mmHg at 25°C
• Melting Point: -103 °C(lit.)
• Refractive Index: n20/D 1.498(lit.)
• Boiling Point: 130.9 °C at 760 mmHg
• Flash Point: 33.3 °C
• PSA: 0.00000
• Density: 1.622 g/cm³
• LogP: 2.22150
• Storage Temp.: Flammables area
• Sensitive.: Light Sensitive
• Solubility.: alcohol: soluble
• Water Solubility.: Insoluble in water.
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 183.97490
• Heavy Atom Count: 5
• Complexity: 13.1

Purity/Quality:

98% ^*data from raw suppliers

1-Iodobutane ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 10-20-36/37/38-20/22
• Safety Statements: 16-36-36/37/39-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Halogenated Aliphatics, Saturated
• Canonical SMILES: CCCCI
• Uses: 1-Iodobutane was used in the synthesis of S-alkylated 5-(2-,3- and 4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol and 5-(2-,3- and 4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazole-3-thiol. It is also used in wide range of medicals industrial applications as well as in human and animal nutrition products, pharmaceutical intermediates, polarizing films for Liquid Crystal Display (LCD) chemicals.

Technology Process of 1-Iodobutane

There total 72 articles about 1-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%

butan-1-ol (71-36-3) → 1-iodo-butane (542-69-8)

Guidance literature:

With potassium iodide; In acetonitrile; at 20 ℃; for 0.25h;

Reference yield: 88.0%

dibutyl ether (142-96-1) → 1-iodo-butane (542-69-8)

Guidance literature:

With hexaethylbisphosphonium bistriiodide; Heating;

Reference yield: 80.0%

1-bromo-butane (109-65-9) → 1-iodo-butane (542-69-8)

Guidance literature:

With I*2H2O; In toluene; at 150 ℃; Rate constant;

DOI:10.1021/ja00263a049

upstream raw materials:

tetrahydrofuran

1-bromo-butane

dibutyl hydrogen phosphite

butyl para-toluenesulfonate

Downstream raw materials:

1-butylpyridinium iodide

1-Phenyl-2-n-butylurazol

1-ethoxy-2-butoxy-benzene

7-Butoxycoumarin

Refernces

• 1、 Lepley,Landau. "". . p. 748. Retrieved 1969.
• 2、 Sefton,Le Roy. "". . p. 41,46. Retrieved 1956.
• 3、 McManus, Samuel P.,Karaman, Rashid M.,Sedaghat-Herati, Reza,Harris, J. Milton. "Reaction of Halide Ion with 2-(Phenylthio)ethyl Halides in Acetone". . p. 4764 - 4766. Retrieved 1995.
• 4、 Yue, Fuyang,Dong, Jianyang,Liu, Yuxiu,Wang, Qingmin. "Visible-Light-Mediated C-I Difluoroallylation with an α-Aminoalkyl Radical as a Mediator". supporting information. p. 7306 - 7310. Retrieved 2021/10/01.
• 5、 Castoldi, Laura,Holzer, Wolfgang,Ielo, Laura,Lombino, Jessica,Pace, Vittorio,Prandi, Cristina,Roller, Alexander,Touqeer, Saad. "Halogen-Imparted Reactivity in Lithium Carbenoid Mediated Homologations of Imine Surrogates: Direct Assembly of bis-Trifluoromethyl-β-Diketiminates and the Dual Role of LiCH2I". supporting information. p. 20852 - 20857. Retrieved 2020/09/12.