CompoundList
Sign in
Chlorinated and fluorinated solvents

Iodobenzene

Also known as Phenyl iodide, Benzene, iodo-, Benzene iodide

CAS 591-50-4Formula C6H5IMolar mass 204.01 g/molEC 209-719-6
GHS signal word: Warning. Pictograms: Harmful or irritant 44 suppliers listed
Get quotes Compare 44 suppliers
Iodobenzene chemical structure, C6H5I, CAS 591-50-4
2D chemical structure

Key facts

What buyers check first

All properties
Appearance
Liquid
Melting point
-31.3 °C
Boiling point
188.4 °C
Density
1.808 g/cm³ at 20 °C
Flash point
77 °C
HS code
290399
Category
Chlorinated and fluorinated solvents
Illustrative photo, 200 litre blue HDPE drums of liquid in a warehouse
Typical packagingIllustrative packaging image, not the actual product

What is Iodobenzene?

Plain description, key identifiers and synonyms

Iodobenzene is a chemical substance with the molecular formula C6H5I and a molar mass of 204.01 g/mol. Its CAS registry number is 591-50-4.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
iodobenzene
CAS number
591-50-4 CAS number cross-checkedOther or deprecated CAS: 51209-48-4
EC number
209-719-6
Molecular formula
C6H5I
UNII
9HK5L7YBBR
MDL number
MFCD00001029
InChIKey
SNHMUERNLJLMHN-UHFFFAOYSA-N
InChI
InChI=1S/C6H5I/c7-6-4-2-1-3-5-6/h1-5H
SMILES (canonical and isomeric)
C1=CC=C(C=C1)I

Synonyms

  • Phenyl iodide
  • Benzene, iodo-
  • Benzene iodide
  • Iodinebenzol
  • Iodo-benzene
  • 4-iodobenzene
  • 1-Iodobenzene
  • Phenyliodide
  • 3-iodobenzene
  • iodiobenzene
  • phenyl-iodide
  • Iodo benzene
  • Iodobenzene--d2
  • Iodophenyl
  • Iodobenzene, 98%
  • iodobenezene
  • benzene, iodo
  • 2-iodo-benzene
  • Iodobenzene, puriss., >=99.0% (GC)

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

Appearance
Liquidexp.
Melting point
-31.3 °Cexp.
Boiling point
188.4 °Cexp.
Density
1.808 g/cm³ at 20 °Cexp.
Flash point
77 °Cexp.
Solubility
In water, 340 mg/L at 30 °Cexp.
Vapour pressure
1.06 mm Hg at 25 °C (extrapolated)exp.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
204.01 g/molcalc.
Exact mass
203.9436 Dacalc.
LogP (octanol/water)
2.29calc.
Topological polar surface area
0 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
0calc.
Rotatable bonds
0calc.
Heavy atoms
7calc.
Rings
1calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, c1ccccc1

c1ccccc1

1 ring, 6 atoms, the Benzene ring system.

485,677 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H302Harmful if swallowed.
  • H319Causes serious eye irritation.
  • H332Harmful if inhaled.
Precautionary statements (13)
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P270Do not eat, drink or smoke when using this product.
  • P271Use only outdoors or in a well-ventilated area.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P317If swallowed: Get medical help.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P317Get medical help.
  • P330Rinse mouth.
  • P337 + P317If eye irritation persists: Get medical help.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Iodobenzene suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

All 44 suppliers
30 of 30 offers

Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.

Where suppliers are based

44 suppliers in 7 countries

Send one request to many suppliers

Choose up to 10 suppliers or let us match your request. Compare quotes side by side, free.

Choose suppliersPost a request

Iodobenzene price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

Get latest price

Uses and applications

What the substance is used for, by industry and function

Chemical reagent.

How it is made

Obtained by diazotizing aniline and then treating with an aqueous solution of KI, or by the action of HNO3 on a mixture of C6H6 and iodine.

Regulatory status

Inventories, regulations and trade controls that list this substance

United States

  • TSCA inventory (USA)
    Status: Active in US commerce

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Iodobenzene is traded under.

HS 2903.99Indicative HS code

Halogenated derivatives of aromatic hydrocarbons, other

World exports in 2024
$798M
−15.8% vs 2023, imports $786M
2019 to 2024
Top exporters
  1. China51.0%
  2. United States15.9%
  3. Belgium8.6%
Top importers
  1. India * partner reported16.1%
  2. United States14.7%
  3. Germany10.9%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Iodobenzene is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Iodobenzene, based on the data on this page

What is Iodobenzene?

Iodobenzene is a chemical substance with the molecular formula C6H5I and a molar mass of 204.01 g/mol. Its CAS registry number is 591-50-4.

What is the CAS number of Iodobenzene?

The CAS registry number of Iodobenzene is 591-50-4. Other or deprecated CAS numbers: 51209-48-4.

What is the molecular formula and weight of Iodobenzene?

The molecular formula of Iodobenzene is C6H5I and its molar mass is 204.01 g/mol.

What is Iodobenzene used for?

Chemical reagent.

Is Iodobenzene hazardous?

Iodobenzene carries the GHS signal word "Warning". Main hazards: harmful if swallowed, causes serious eye irritation, harmful if inhaled. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Iodobenzene?

Iodobenzene is usually classified under HS code 290399 (Halogenated derivatives of aromatic hydrocarbons, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Iodobenzene?

CompoundList lists 44 suppliers of Iodobenzene in China, United States, India, Japan and 3 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Iodobenzene in India?

5 suppliers in India list Iodobenzene on CompoundList. Filter the suppliers list by country and send a request to compare prices, grades and delivery times.

What is the price of Iodobenzene?

Suppliers quote Iodobenzene on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Iodobenzene

Get quotes for Iodobenzene

Post one free request with your grade, quantity and destination. Matching suppliers send quotes you can compare side by side.
Post a request Sell Iodobenzene
Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
Embed this structure on your websiteShow code

Paste this code into your page to show the 2D structure of Iodobenzene with a 3D view, its CAS number where known and a link back to this page. Free to use with the link kept.

<iframe src="https://www.compoundlist.com/embed/structure/iodobenzene-591-50-4" title="Iodobenzene structure on CompoundList" width="360" height="420" style="border:1px solid #E7E2DA;border-radius:12px;max-width:100%" loading="lazy" referrerpolicy="strict-origin-when-cross-origin"></iframe>
Preview the embed

Explore more in Chlorinated and fluorinated solvents or HS code 290399

44 suppliers
Free quotes, contact stays private
Get quotes