1-Iodobutane
1-Iodobutane (CAS: 542-69-8), a clear, colourless liquid with the molecular formula CH3(CH2)3I, is a halogenated hydrocarbon of significant utility in organic synthesis. With a molecular weight of 184.02 g/mol, it serves as a valuable alkylating agent and building block. Its primary applications lie in the precise synthesis of complex organic molecules, including various heterocyclic compounds and ionic liquids, underscoring its importance in research and development.
- IUPAC
- Butyl iodide
Synthesis of S-Alkylated Triazole Thiols
1-Iodobutane is employed in the alkylation of 5-(2-,3- and 4-methoxyphenyl)-4H-1,2,4-triazole-3-thiols, facilitating the introduction of the n-butyl group.
Preparation of Triazole Derivatives
It is utilised in the synthesis of 5-(2-,3- and 4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazole-3-thiols, serving as an effective alkylating agent.
Ionic Liquid Synthesis
1-Iodobutane reacts with 1-methylpyrrolidine in ethyl acetate to produce N-butyl-N-methylpyrrolidinium bis(trifluoromethanesulfonyl)imide, a type of ionic liquid.
| Molecular weight | 184.02 |
|---|---|
| Linear formula | CH3(CH2)3I |
| Assay | 99% |
| Boiling point | 130-131 °C(lit.) |
| Density | 1.617 g/mL at 25 °C(lit.) |
| Refractive index | n20/D 1.498(lit.) |
| Solubility | alcohol: solublediethyl ether: solublewater: insoluble |
| Melting point | −103 °C(lit.) |
| Vapour density | ~5 (vs air) |
| Contains / stabiliser | copper as stabilizer |
| Application | 1-Iodobutane was used in the synthesis of:• S-alkylated 5-(2-,3- and 4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol1• 5-(2-,3- and 4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazole-3-thiol1• N-butyl-N-methylpyrrolidinium bis(trifluoromethanesulfonyl)imide by reaction with 1-methylpyrrolidine in ethyl acetate2 |
Hazard statements
- H226Flammable liquid and vapour
- H331Toxic if inhaled
Precautionary statements
- P261Avoid breathing dust, fume, gas or vapours
- P311Call a POISON CENTER or doctor
| Protective equipment | Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter |
|---|---|
| Flash point | 33 °C / 91.4 °F |
| Transport (UN / ADR) | UN 1993C 3 / PGIII |
| Water hazard class (WGK, DE) | 3 |
| Hazard codes (EU) | Xn |
| Risk statements (R) | 10-20 |
Hazard information is provided for guidance. Always consult the product Safety Data Sheet (SDS), available on request, before handling.
Documentation
Every batch ships with a Certificate of Analysis covering assay, identity and purity; the grade is confirmed against your enquiry. Safety Data Sheets and technical data sheets are available on request.
Supply & logistics
Samples for technical evaluation; bulk MOQ by grade and packaging. In-stock material ships in 7–10 working days, worldwide, with full export documentation.
What is 1-Iodobutane used for?
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1-Iodobutane is primarily used as an alkylating agent and building block in organic synthesis, notably in the preparation of various substituted triazoles and ionic liquids.
What are the CAS number and chemical formula for 1-Iodobutane?
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The CAS number for 1-Iodobutane is 542-69-8, and its linear chemical formula is CH3(CH2)3I.
What grade and purity does Tech Serve Solutions supply?
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Tech Serve Solutions supplies 1-Iodobutane with a minimum assay of 99%. We do not represent this product as USP, BP, or EP grade.
How should 1-Iodobutane be handled safely?
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1-Iodobutane is a flammable liquid and vapour, and toxic if inhaled. Handle with appropriate personal protective equipment, including eyeshields, gloves, and a suitable respirator, in a well-ventilated area. Refer to the Safety Data Sheet for comprehensive handling information.
Is 1-Iodobutane a controlled substance?
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The provided data does not indicate that 1-Iodobutane is a controlled substance.
How is 1-Iodobutane packed, shipped, and exported?
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1-Iodobutane is packed in compliance with UN 1993 regulations (C3/PGIII). Tech Serve Solutions is experienced in global shipping and export of chemicals.
How can I request a sample or quote for 1-Iodobutane?
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Please contact our sales team through our website or by phone to request a sample or a formal quotation for 1-Iodobutane.
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