Iodobenzene (C6H5I)

Looking for routes to Iodobenzene? Iodobenzene presents a C6 framework, aromatic rings, halogen substitution. Use the planner with prefilled SMILES, or copy Ic1ccccc1 (CAS 591-50-4).

Target: Iodobenzene
CAS: 591-50-4
Formula: C6H5I
Approx. MW: 204.01
SMILES: Ic1ccccc1
PubChem CID: 11575
Approx. carbons: C6

Iodobenzene structure

Properties

IUPAC name: iodobenzene
Common names: IODOBENZENE; 591-50-4; Phenyl iodide; Benzene, iodo-; Benzene iodide; Iodinebenzol; Iodo-benzene; 9HK5L7YBBR; NSC-9244; DTXSID8060452
Molecular weight: 204.01
Exact mass: 203.94
InChIKey: SNHMUERNLJLMHN-UHFFFAOYSA-N
Melting point: -31.3 °C
Boiling point: 188.4 °C
Density: 1.808 g/cu cm at 20 °C

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Iodobenzene 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Iodobenzene?

Iodobenzene has molecular formula C6H5I. Molecular weight about 204.01 g·mol⁻¹.

What is the CAS number of Iodobenzene?

The CAS Registry Number for Iodobenzene is 591-50-4.

Run AI retrosynthesis for Iodobenzene Target catalog AI tools overview

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Related targets

Similar compounds

(3-bromophenyl)boronic Acid 1-Bromo-2-chloro-3-fluorobenzene 1-Bromo-2-chlorobenzene 1-Bromo-2-Iodobenzene 1-Bromo-3-chlorobenzene 1-Bromo-4-chlorobenzene

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References & tools

ChemicalTool Reaction — AI retrosynthesis with optional library evidence.
PubChem — compound identifiers and structure depictions (NIH/NCBI).
Related: AiZynthFinder / synthesis planning literature for computer-aided retrosynthesis.