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Esters and lactones

3-Iodophenyl acetate

Also known as (3-iodophenyl) acetate, acetic acid 3-iodo-phenyl ester, 3-Iodophenylacetate

CAS 42861-71-2Formula C8H7IO2Molar mass 262.05 g/mol
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3-Iodophenyl acetate chemical structure, C8H7IO2, CAS 42861-71-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
42861-71-2
Formula
C8H7IO2
Molar mass
262.05 g/mol
HS code
291539
Category
Esters and lactones

What is 3-Iodophenyl acetate?

Plain description, key identifiers and synonyms

3-Iodophenyl acetate is a chemical substance with the molecular formula C8H7IO2 and a molar mass of 262.05 g/mol. Its CAS registry number is 42861-71-2. The IUPAC name is (3-iodophenyl) acetate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(3-iodophenyl) acetate
CAS number
42861-71-2 CAS number cross-checked
Molecular formula
C8H7IO2
MDL number
MFCD09029734
InChIKey
LWGMUQGQHHKINA-UHFFFAOYSA-N
InChI
InChI=1S/C8H7IO2/c1-6(10)11-8-4-2-3-7(9)5-8/h2-5H,1H3
SMILES (canonical and isomeric)
CC(=O)OC1=CC(=CC=C1)I

Synonyms

  • (3-iodophenyl) acetate
  • acetic acid 3-iodo-phenyl ester
  • 3-Iodophenylacetate
  • 1-acetyloxy-3-iodo-benzene
  • Phenol, 3-iodo-, 1-acetate

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

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

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
262.05 g/molcalc.
Exact mass
261.9491 Dacalc.
LogP (octanol/water)
2.22calc.
Topological polar surface area
26.3 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
1calc.
Heavy atoms
11calc.
Rings
1calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.13calc.
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

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

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

3-Iodophenyl acetate suppliers

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3-Iodophenyl acetate price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code 3-Iodophenyl acetate is traded under.

HS 2915.39Indicative HS code

Esters of acetic acid, other

World exports in 2024
$2.03B
+7.9% vs 2023, imports $1.95B
2019 to 2024
Top exporters
  1. China58.0%
  2. United States7.3%
  3. Germany6.5%
Top importers
  1. Singapore15.6%
  2. South Korea7.2%
  3. Indonesia6.9%
Reported customs values in USD, not prices.Full trade data

The HS code shown for 3-Iodophenyl acetate is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about 3-Iodophenyl acetate, based on the data on this page

What is 3-Iodophenyl acetate?

3-Iodophenyl acetate is a chemical substance with the molecular formula C8H7IO2 and a molar mass of 262.05 g/mol. Its CAS registry number is 42861-71-2. The IUPAC name is (3-iodophenyl) acetate.

What is the CAS number of 3-Iodophenyl acetate?

The CAS registry number of 3-Iodophenyl acetate is 42861-71-2.

What is the molecular formula and weight of 3-Iodophenyl acetate?

The molecular formula of 3-Iodophenyl acetate is C8H7IO2 and its molar mass is 262.05 g/mol.

What is 3-Iodophenyl acetate used for?

Known uses and roles of 3-Iodophenyl acetate include building blocks in research and laboratory and screening compounds in research and laboratory.

Is 3-Iodophenyl acetate hazardous?

No GHS hazard classification for 3-Iodophenyl acetate is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of 3-Iodophenyl acetate?

3-Iodophenyl acetate is usually classified under HS code 291539 (Esters of acetic acid, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy 3-Iodophenyl acetate?

Post a free request on CompoundList and suppliers of 3-Iodophenyl acetate will send you quotes. Your contact details stay private until you accept a quote.

What is the price of 3-Iodophenyl acetate?

Suppliers quote 3-Iodophenyl acetate 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 3-Iodophenyl acetate

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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