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Heterocyclic building blocks

5-Acetoxyindole

Also known as 1H-indol-5-yl Acetate

CAS 5594-91-2Formula C10H9NO2Molar mass 175.19 g/mol
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5-Acetoxyindole chemical structure, C10H9NO2, CAS 5594-91-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
5594-91-2
Formula
C10H9NO2
Molar mass
175.19 g/mol
HS code
293399
Category
Heterocyclic building blocks

What is 5-Acetoxyindole?

Plain description, key identifiers and synonyms

5-Acetoxyindole is a chemical substance with the molecular formula C10H9NO2 and a molar mass of 175.19 g/mol. Its CAS registry number is 5594-91-2. The IUPAC name is 1H-indol-5-yl acetate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
1H-indol-5-yl acetate
CAS number
5594-91-2 CAS number cross-checked
Molecular formula
C10H9NO2
MDL number
MFCD00151952
InChIKey
QHPPUHQLQLSMHC-UHFFFAOYSA-N
InChI
InChI=1S/C10H9NO2/c1-7(12)13-9-2-3-10-8(6-9)4-5-11-10/h2-6,11H,1H3
SMILES (canonical and isomeric)
CC(=O)OC1=CC2=C(C=C1)NC=C2

Synonyms

  • 1H-indol-5-yl 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
175.19 g/molcalc.
Exact mass
175.0633 Dacalc.
LogP (octanol/water)
2.09calc.
Topological polar surface area
42.09 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
1calc.
Heavy atoms
13calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.1calc.
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, c1ccc2[nH]ccc2c1

c1ccc2[nH]ccc2c1

2 rings, 9 atoms, the Indole ring system.

25,097 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.

5-Acetoxyindole suppliers

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5-Acetoxyindole 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 5-Acetoxyindole is traded under.

HS 2933.99Indicative HS code

Heterocyclic compounds with nitrogen hetero-atom(s) only, other

World exports in 2024
$12.1B
−31.0% vs 2023, imports $28.8B
2019 to 2024
Top exporters
  1. China30.5%
  2. India * partner reported16.3%
  3. Ireland9.0%
Top importers
  1. Slovenia31.7%
  2. Italy24.2%
  3. United States5.0%

* Partner reported figures, a lower bound.

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

The HS code shown for 5-Acetoxyindole is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about 5-Acetoxyindole, based on the data on this page

What is 5-Acetoxyindole?

5-Acetoxyindole is a chemical substance with the molecular formula C10H9NO2 and a molar mass of 175.19 g/mol. Its CAS registry number is 5594-91-2. The IUPAC name is 1H-indol-5-yl acetate.

What is the CAS number of 5-Acetoxyindole?

The CAS registry number of 5-Acetoxyindole is 5594-91-2.

What is the molecular formula and weight of 5-Acetoxyindole?

The molecular formula of 5-Acetoxyindole is C10H9NO2 and its molar mass is 175.19 g/mol.

What is 5-Acetoxyindole used for?

Known uses and roles of 5-Acetoxyindole include building blocks in research and laboratory and screening compounds in research and laboratory.

Is 5-Acetoxyindole hazardous?

No GHS hazard classification for 5-Acetoxyindole 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 5-Acetoxyindole?

5-Acetoxyindole is usually classified under HS code 293399 (Heterocyclic compounds with nitrogen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy 5-Acetoxyindole?

Post a free request on CompoundList and suppliers of 5-Acetoxyindole will send you quotes. Your contact details stay private until you accept a quote.

What is the price of 5-Acetoxyindole?

Suppliers quote 5-Acetoxyindole 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 5-Acetoxyindole

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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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