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Iodobenzene

CAS 591-50-4C6H5IChemical Synthesis

Iodobenzene (CAS: 591-50-4), with the molecular formula C6H5I and a molar mass of 204.01 g/mol, is a clear, brown to yellow liquid possessing a benzene-like odour. It is miscible with alcohol and insoluble in water. This halogenated hydrocarbon serves as a valuable building block in organic synthesis, particularly in the formation of carbon-carbon and carbon-heteroatom bonds. Its applications span various chemical synthesis pathways.

Synonyms
Phenyl iodideBenzene, iodo-
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Iodobenzene (C6H5I) — chemical structure, CAS 591-50-4; Chemistry, fine chemical supplied by Tech Serve Solutions
ArylBuilding BlocksChemical SynthesisHalogenated Hydrocarbons
01 /Applications

Organic Synthesis Building Block

Iodobenzene is a key aryl halide utilised in cross-coupling reactions such as Suzuki, Heck, and Sonogashira couplings. These reactions are fundamental for constructing complex organic molecules and are widely employed in the pharmaceutical and materials science industries.

Precursor for Organometallic Reagents

It can be used to generate organometallic compounds, like phenylmagnesium iodide (a Grignard reagent) or phenylithium, which are versatile intermediates in synthetic chemistry for nucleophilic addition reactions.

Ligand Synthesis

Iodobenzene can serve as a starting material in the synthesis of various ligands, particularly phosphine ligands, which are crucial in homogeneous catalysis.

02 /Properties
Molecular weight204.01
Empirical formulaC6H5I
Assay≥99.0% (GC)
Gradepuriss.
Boiling point188 °C(lit.)
Density1.830 g/mL at 20 °C1.823 g/mL at 25 °C(lit.)
Refractive indexn20/D 1.62(lit.)n20/D 1.620
Melting point−29 °C(lit.)
SolubilityMiscible in alcohol & insoluble in water
Contains / stabilisersilver wool as stabilizer
03 /Safety & handling
GHS hazard pictogram: Harmful / irritant (GHS07)
Harmful / irritant
Warning

Hazard statements

  • H302Harmful if swallowed
  • H319Causes serious eye irritation

Precautionary statements

  • P305IF IN EYES
Protective equipmentEyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Flash point77 °C / 170.6 °F
Transport (UN / ADR)UN 1993 / PGIII
Water hazard class (WGK, DE)3
Hazard codes (EU)Xn
Risk statements (R)22-36
Safety statements (S)26-36

Hazard information is provided for guidance. Always consult the product Safety Data Sheet (SDS), available on request, before handling.

04 /Identifiers & registry
CAS number
591-50-4
MDL number
MFCD00001029
PubChem substance
24880561
Beilstein registry
1446140
05 /Additional specifications
DescriptionClear brown to yellow liquid, Benzene like odour.
06 /Quality & supply

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.

07 /Frequently asked questions

What is Iodobenzene used for?

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Iodobenzene is primarily used as a building block in organic synthesis, particularly in cross-coupling reactions like Suzuki and Heck couplings, and for the preparation of organometallic reagents. It is also used in ligand synthesis.

What is the CAS number and formula for Iodobenzene?

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The CAS number for Iodobenzene is 591-50-4 and its empirical formula is C6H5I. Its molecular weight is 204.01 g/mol.

What grade and purity does Tech Serve Solutions supply?

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Tech Serve Solutions supplies Iodobenzene with a purity of ≥99.0% (GC), designated as puriss. grade. We do not represent this product as USP, BP, or EP grade.

How should Iodobenzene be handled safely?

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Iodobenzene is harmful if swallowed and causes serious eye irritation (H302, H319). Handle with appropriate personal protective equipment, including eyeshields, face shields, gloves, and suitable respiratory protection. Ensure adequate ventilation and avoid contact with skin and eyes.

How is Iodobenzene packed and shipped?

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Iodobenzene is packed and shipped according to UN 1993 / PGIII regulations. It is stabilised with silver wool. Tech Serve Solutions, as a global supplier and exporter, adheres to all relevant international shipping standards.

How can I request a quote or sample?

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To request a quote or a sample of Iodobenzene, please contact our sales team through the website or call us directly. We are happy to assist with your chemical supply needs.

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