1H-Indol-3-yl(oxo)acetic acid

Basic Information

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CAS Number

1477-49-2

Molecular Formula

C10H7NO3

Molecular Weight

189.17 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

Basic Physical Properties

Melting Point

217 °C (dec.)

Boiling Point

413 °C at 760 mmHg

Density

1.477

Flash Point

203.6℃

Refractive Index

1.711

SMILES

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

InChI

InChI=1S/C10H7NO3/c12-9(10(13)14)7-5-11-8-4-2-1-3-6(7)8/h1-5,11H,(H,13,14)

InChIKey

DWLVFWDCSFTDOD-UHFFFAOYSA-N

LogP

1.4352

Topological Polar Surface Area

70.16 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

264

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

1H-Indol-3-yl(oxo)acetic acid #
2-(1H-indol-3-yl)-2-oxo-acetic acid
3-Indolylglyoxylic acid
UNII-34U8W7RF8Q
2-(1H-indol-3-yl)-2-oxoacetic acid
.alpha.-oxo-Indole-3-acetic acid
3-indole-glyoxylic acid
NSC-71954
Indole-3-glyoxylic acid
(1H-Indol-3-yl)-oxo-acetic acid
1H-indol-3-yl(oxo)acetic acid [
3-Indole glyoxylic acid
INDOLE-3-GLYOXALIC ACID
AC-2262
BDBM50102183
2-(1H-indol-3-yl)-2-oxo acetic acid
NCIOpen2_000465
1H-Indole-3-acetic acid, alpha-oxo-
alpha-oxo-Indole-3-acetic acid
NS00024841
AE-508/43282620
EN300-1267370
Indol-3-ylglyoxylic acid
1H-Indol-3-yl(oxo)acetic acid
GS-6466
BB 0257697
CS-0001919
Z381360918
MFCD00005625
.beta.-Indolylglyoxylic acid
3-Indoleglyoxylic acid, 98%

MDL Number

MFCD00005625

Customs Code

2918300090

FAQ

What regulatory guidelines apply to 1H-Indol-3-yl(oxo)acetic acid (CAS: 1477-49-2)?

1H-Indol-3-yl(oxo)acetic acid (CAS: 1477-49-2) must comply with the Globally Harmonized System (GHS) for classification and labeling. It is also subject to the European Union’s Registration, Evaluation, Authorisation and Restriction of Chemicals (REACH) regulations. In the United States, the Food and Drug Administration (FDA) and the Environmental Protection Agency (EPA) have specific requirements for handling and reporting of this compound.

Are there alternatives to 1H-Indol-3-yl(oxo)acetic acid in synthesis?

For synthesizing similar functionalities, alternatives to 1H-Indol-3-yl(oxo)acetic acid (CAS: 1477-49-2) include indole derivatives and other oxime-acetic acids. Common reagents such as substituted anilines and hydroxycarboxylic acids can be used as starting materials in alternative syntheses.

What is the market or research trend for 1H-Indol-3-yl(oxo)acetic acid (CAS: 1477-49-2)?

The demand for 1H-Indol-3-yl(oxo)acetic acid (CAS: 1477-49-2) is growing in pharmaceutical and agrochemical industries due to its biological activity. Research trends focus on its potential as a precursor for natural product synthesis and its use in medicinal chemistry. Market trends show increasing investment in development of new derivatives and applications.

How should waste containing 1H-Indol-3-yl(oxo)acetic acid (CAS: 1477-49-2) be handled?

Waste containing 1H-Indol-3-yl(oxo)acetic acid (CAS: 1477-49-2) should be collected in appropriate containers and disposed of according to local regulations. Incineration or professional waste disposal services are recommended. Care should be taken to ensure proper ventilation and the use of protective equipment to minimize environmental and health risks.