1-Acetyl-1H-indol-3-yl acetate

Basic Information

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CAS Number

16800-67-2

Molecular Formula

C12H11NO3

Molecular Weight

217.22 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

SMILES

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CC(=O)N1C=C(C2=CC=CC=C21)OC(=O)C

InChI

InChI=1S/C12H11NO3/c1-8(14)13-7-12(16-9(2)15)10-5-3-4-6-11(10)13/h3-7H,1-2H3

InChIKey

DNVFBLDIZKYQPL-UHFFFAOYSA-N

LogP

2.2267

Topological Polar Surface Area

48.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

303

Synonyms & References

English

BCP07237
1-ACETYL-3-INDOLYL ACETATE
Acetic acid-(1-acetyl-1H-indol-3-yl) ester;Indoxyl-1,3-diacetate
FD10001
1-Acetyl-3-acetoxyindole
SR-01000633492-1
1-acetylindol-3-yl acetate
1H-Indol-3-ol, 1-acetyl-, acetate
N-Acetylindol-3-yl acetate
AM20030125
INDOXYL-1,3-DIACETATE
1-Acetyl-1H-indol-3-yl acetate
Indoxyl 1,3-diacetate
AKOS000281397
N-Acetyl-3-acetoxyindole
AS-57169
DTXSID10864716
(1-acetylindol-3-yl) acetate
HMS1673P08
AC-6005
W-200793
1,3-Diacetoxyindole
N,O-1,3-DIACETOXYINDOLE
Acetic acid 1-acetyl-1H-indol-3-yl ester
SCHEMBL1051164
I-5700
6-Chloroindoxyl 1,3-diacetate
1H-Indol-3-ol, 1-acetyl-, acetate (ester)
CCG-43585
MFCD00022890
3-INDOXYL-1,3-DIACETATE

MDL Number

MFCD00022890

Customs Code

2933990090

FAQ

What regulatory guidelines apply to 1-Acetyl-1H-indol-3-yl acetate (CAS: 16800-67-2)?

1-Acetyl-1H-indol-3-yl acetate (CAS: 16800-67-2) is regulated under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), and requires adherence to REACH regulations in the European Union. In the United States, it must comply with FDA and EPA guidelines, including reporting of significant amounts produced or imported, and proper disposal to minimize environmental impact.

Are there alternatives to 1-Acetyl-1H-indol-3-yl acetate (CAS: 16800-67-2) in synthesis?

There are alternative compounds used in synthesis, such as 1-Acetyl-1H-indol-3-yl benzoate and 1-Acetyl-1H-indol-3-yl propanoate, which can serve as effective substitutes depending on the specific reaction conditions. These alternatives can be chosen based on their availability, cost, and reactivity.

What is the market or research trend for 1-Acetyl-1H-indol-3-yl acetate (CAS: 16800-67-2)?

The market for 1-Acetyl-1H-indol-3-yl acetate (CAS: 16800-67-2) is growing, driven by increasing research in natural products chemistry and pharmacological applications. Recent studies focus on its potential as a bioactive compound, particularly in cancer research and as a precursor for other complex molecules.

How should waste containing 1-Acetyl-1H-indol-3-yl acetate (CAS: 16800-67-2) be handled?

Waste containing 1-Acetyl-1H-indol-3-yl acetate (CAS: 16800-67-2) should be collected in a sealed, properly labeled container. It should then be disposed of through a licensed waste disposal service, following local hazardous waste regulations. Environmental protection measures, such as neutralization and incineration, should be considered to minimize environmental impact and ensure safe disposal.