1H-Indol-4-yl acetate

Basic Information

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CAS Number

5585-96-6

Molecular Formula

C10H9NO2

Molecular Weight

175.19 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

Basic Physical Properties

Melting Point

100-102 °C

Boiling Point

339.1℃ at 760 mmHg

Density

1.2550

Flash Point

158.9℃

Refractive Index

1.633

SMILES

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CC(=O)OC1=CC=CC2=C1C=CN2

InChI

InChI=1S/C10H9NO2/c1-7(12)13-10-4-2-3-9-8(10)5-6-11-9/h2-6,11H,1H3

InChIKey

ZXDMUHFTJWEDEF-UHFFFAOYSA-N

LogP

2.0932

Topological Polar Surface Area

42.09 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

205

Safety Information

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Hazard Statement

Synonyms & References

English

1H-Indol-4-yl acetate
4-Acetoxy indole
DTXSID70342707
A-0300
4-Acetoxy-1H-indole
FT-0618758
SY004859
AS-31131
A830841
4-Indolyl acetate
AB01042
1H-Indol-4-yl acetate #
CS-W017456
4-Acetoxyindole
MFCD00010678
acetic acid 1H-indol-4-yl ester
SCHEMBL594038
AC-4398
5585-96-6
4-Indolyl acetate, 99%
AKOS015837973
4-ACETOXYINDOLE
ZXDMUHFTJWEDEF-UHFFFAOYSA-N
4-IndolylAcetate
4-Indoxyl acetate
PubChem7301
1H-indol-4-yl ethanoate
1H-Indol-4-ol,4-acetate
TRA0029728
CM10945
AJ-

MDL Number

MFCD00010678

Customs Code

2933990090

FAQ

What is 1H-Indol-4-yl acetate (CAS: 5585-96-6)?

1H-Indol-4-yl acetate (CAS: 5585-96-6) is an organic compound with a molecular formula of C11H12NO2. It is an acetate ester derivative of indole, characterized by a distinctive odor and used in various applications.

What are the main uses of 1H-Indol-4-yl acetate (CAS: 5585-96-6)?

1H-Indol-4-yl acetate (CAS: 5585-96-6) is primarily used in pharmaceuticals as a precursor for the synthesis of other compounds, in research for biological studies, and as a flavor enhancer in the food industry due to its odor characteristics.

Is 1H-Indol-4-yl acetate (CAS: 5585-96-6) safe?

1H-Indol-4-yl acetate (CAS: 5585-96-6) is generally safe when handled with appropriate precautions. However, it should be used in well-ventilated areas and with proper personal protective equipment. Avoid inhalation and direct contact with the skin and eyes.

How should 1H-Indol-4-yl acetate (CAS: 5585-96-6) be stored?

1H-Indol-4-yl acetate (CAS: 5585-96-6) should be stored in a cool, dry place away from direct sunlight and heat sources. Store in a tightly sealed container to prevent moisture absorption. Avoid contact with incompatible materials and ensure proper labeling for safety purposes.