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Aromatic building blocks

Indophenyl acetate

Also known as Indophenol, acetate (ester), 4-((4-(Acetyloxy)phenyl)imino)-2,5-cyclohexadien-1-one, 2,5-Cyclohexadien-1-one, 4-[[4-(acetyloxy)phenyl]imino]-

CAS 7761-80-0Formula C14H11NO3Molar mass 241.25 g/molEC 231-852-3
GHS signal word: Warning. Pictograms: Harmful or irritant 1 supplier listed
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Indophenyl acetate chemical structure, C14H11NO3, CAS 7761-80-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
7761-80-0
Formula
C14H11NO3
Molar mass
241.25 g/mol
EC number
231-852-3
HS code
292529
Category
Aromatic building blocks

What is Indophenyl acetate?

Plain description, key identifiers and synonyms

Indophenyl acetate is a chemical substance with the molecular formula C14H11NO3 and a molar mass of 241.25 g/mol. Its CAS registry number is 7761-80-0. The IUPAC name is [4-[(4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenyl] acetate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[4-[(4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenyl] acetate
CAS number
7761-80-0 CAS number cross-checked
EC number
231-852-3
Molecular formula
C14H11NO3
UNII
I0H60V4I6S
InChIKey
XAFOVULQFHVXSZ-UHFFFAOYSA-N
InChI
InChI=1S/C14H11NO3/c1-10(16)18-14-8-4-12(5-9-14)15-11-2-6-13(17)7-3-11/h2-9H,1H3
SMILES (canonical and isomeric)
CC(=O)OC1=CC=C(C=C1)N=C2C=CC(=O)C=C2

Synonyms

  • Indophenol, acetate (ester)
  • 4-((4-(Acetyloxy)phenyl)imino)-2,5-cyclohexadien-1-one
  • 2,5-Cyclohexadien-1-one, 4-[[4-(acetyloxy)phenyl]imino]-
  • 2,5-Cyclohexadien-1-one, 4-((4-(acetyloxy)phenyl)imino)-
  • Indophenol acetate
  • Indolphenol acetate
  • Indophenolacetate
  • 4-[(4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenyl acetate
  • [4-[(4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenyl] acetate
  • Indophenol, acetate
  • 2, 4-[[4-(acetyloxy)phenyl]imino]-
  • 4-((4-Oxocyclohexa-2,5-dien-1-yl)imino)phenyl acetate
  • 4-[(4-oxocyclohexa-2,5-dienylidene)azamethyl]phenyl 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
241.25 g/molcalc.
Exact mass
241.0739 Dacalc.
LogP (octanol/water)
2.38calc.
Topological polar surface area
55.73 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
2calc.
Heavy atoms
18calc.
Rings
2calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.07calc.
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, O=C1C=CC(=Nc2ccccc2)C=C1

O=C1C=CC(=Nc2ccccc2)C=C1

2 rings, 14 atoms, the 4-(Phenylimino)-2,5-cyclohexadien-1-one ring system.

104 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.
  • H312Harmful in contact with skin.
  • H315Causes skin irritation.
  • H319Causes serious eye irritation.
  • H332Harmful if inhaled.
  • H335May cause respiratory irritation.
Precautionary statements (20)
  • 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.
  • P302 + P352If on skin: Wash with plenty of water.
  • 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.
  • P319Get medical help if you feel unwell.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P332 + P317If skin irritation occurs: Get medical help.
  • P337 + P317If eye irritation persists: Get medical help.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • P405Store locked up.
  • 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

Indophenyl acetate suppliers

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1 supplier in 1 country

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Indophenyl 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

United States

  • TSCA inventory (USA)
    Status: Inactive 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 Indophenyl acetate is traded under.

HS 2925.29Indicative HS code

Imines and their derivatives, salts thereof, other

World exports in 2024
$1.8B
+12.4% vs 2023, imports $1.84B
2019 to 2024
Top exporters
  1. China35.9%
  2. France * partner reported15.5%
  3. Germany9.1%
Top importers
  1. United States13.3%
  2. China13.0%
  3. Brazil9.7%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about Indophenyl acetate, based on the data on this page

What is Indophenyl acetate?

Indophenyl acetate is a chemical substance with the molecular formula C14H11NO3 and a molar mass of 241.25 g/mol. Its CAS registry number is 7761-80-0. The IUPAC name is [4-[(4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenyl] acetate.

What is the CAS number of Indophenyl acetate?

The CAS registry number of Indophenyl acetate is 7761-80-0.

What is the molecular formula and weight of Indophenyl acetate?

The molecular formula of Indophenyl acetate is C14H11NO3 and its molar mass is 241.25 g/mol.

What is Indophenyl acetate used for?

Known uses and roles of Indophenyl acetate include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Indophenyl acetate hazardous?

Indophenyl acetate carries the GHS signal word "Warning". Main hazards: harmful if swallowed, harmful in contact with skin, causes skin irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Indophenyl acetate?

Indophenyl acetate is usually classified under HS code 292529 (Imines and their derivatives, salts thereof, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Indophenyl acetate?

CompoundList lists 1 supplier of Indophenyl acetate in Germany. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Indophenyl acetate?

Suppliers quote Indophenyl 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 Indophenyl 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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