3-(1H-Indol-3-yl)-2-oxopropanoic acid

Basic Information

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CAS Number

392-12-1

Molecular Formula

C11H9NO3

Molecular Weight

203.2 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

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

Melting Point

215 °C (dec.)

Boiling Point

445.2 ℃ at 760 mmHg

Flash Point

223 °C

Refractive Index

1.4950 (estimate)

SMILES

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C1=CC=C2C(=C1)C(=CN2)CC(=O)C(=O)O

InChI

InChI=1S/C11H9NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5H2,(H,14,15)

InChIKey

RSTKLPZEZYGQPY-UHFFFAOYSA-N

LogP

1.3641

Topological Polar Surface Area

70.16 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

277

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

SMR000112266
NCGC00247042-01
Indole-3-pyruvic acid, >=98.0% (TLC)
3-(3-Indolyl)-2-oxopropanoic acid
CHEBI:29750
C00331
EN300-218335
AC17FD8D-94BC-4C87-B5E6-D2B60F03B45D
SCHEMBL125249
indol-3-yl pyruvic acid
AC-10208
bmse000685
beta-Indolylpyruvic acid
3-(1H-indol-3-yl)-2-keto-propionic acid
3-indol-3-yl-2-oxopropanoic acid
EINECS 206-874-1
indol-3-pyruvic acid
.beta.-Indolepyruvic acid
NCGC00255790-01
HY-W028393
(indol-3-yl)pyruvic acid
3IO
Indole-3-pyruvic acid
1H-INDOLE-3-PROPANOIC ACID, .ALPHA.-OXO
Indolepyruvic acid
1H-Indole-3-propanoic acid, alpha-oxo-
4QM0LT13A8
DTXCID1022053
KETO TRYPTOPHAN
3-Indolylpyruvic acid
AKOS005267243

MDL Number

MFCD00005640

Customs Code

2918300090

FAQ

What is 3-(1H-Indol-3-yl)-2-oxopropanoic acid (CAS: 392-12-1)?

3-(1H-Indol-3-yl)-2-oxopropanoic acid, also known as 3-(1H-indol-3-yl)-propionic acid, is a chemical compound with the CAS number 392-12-1. It is an organic compound with a molecular formula of C9H9NO2. This compound is characterized by its aromatic and carboxylic acid functional groups.

What are the main uses of 3-(1H-Indol-3-yl)-2-oxopropanoic acid (CAS: 392-12-1)?

3-(1H-Indol-3-yl)-2-oxopropanoic acid is primarily used in pharmaceutical research and development, particularly in the synthesis of indole derivatives. It also finds applications in the production of certain agrochemicals and as a precursor in organic synthesis.

Is 3-(1H-Indol-3-yl)-2-oxopropanoic acid (CAS: 392-12-1) safe?

3-(1H-Indol-3-yl)-2-oxopropanoic acid is generally considered safe when handled with appropriate precautions. However, it is important to use protective gloves and eyewear to prevent skin and eye contact. Inhalation of vapors or aerosols should be avoided. Avoid contact with water to prevent hydrolysis and formation of hazardous substances.

How should 3-(1H-Indol-3-yl)-2-oxopropanoic acid (CAS: 392-12-1) be stored?

3-(1H-Indol-3-yl)-2-oxopropanoic acid should be stored in a cool, dry place away from heat and direct sunlight. It is best kept in a tightly sealed container to prevent moisture absorption. The temperature should be maintained below 25°C to ensure stability. Avoid storing it near incompatible materials such as strong acids or bases.