3-Indolinecarboxylic acid

Basic Information

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CAS Number

39891-70-8

Molecular Formula

C9H9NO2

Molecular Weight

163.18 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Physical State

White to Yellow Solid

Boiling Point

346.9 ℃ at 760 mmHg

SMILES

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C1C(C2=CC=CC=C2N1)C(=O)O

InChI

InChI=1S/C9H9NO2/c11-9(12)7-5-10-8-4-2-1-3-6(7)8/h1-4,7,10H,5H2,(H,11,12)

InChIKey

RXHBTEVUVWXEBO-UHFFFAOYSA-N

LogP

1.2803

Topological Polar Surface Area

49.33 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

193

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

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

EN300-69590
2,3-DIHYDRO-1H-INDOLE-3-CARBOXYLIC ACID
AKOS006280722
AB16477
SCHEMBL3749720
MFCD03840629
A824788
39891-70-8
Indoline-3-carboxylicacid
CS-0139342
AC-23375
BS-3880
Q-102581
Indoline-3-carboxylic acid
RXHBTEVUVWXEBO-UHFFFAOYSA-N
DTXSID20599284
FT-0601292
1H-INDOLINE-3-CARBOXYLIC ACID
2,3-dihydro-1H-indole-3-carboxylic acid

MDL Number

MFCD03840629

Customs Code

2933990090

FAQ

What regulatory guidelines apply to 3-Indolinecarboxylic acid (CAS: 39891-70-8)?

3-Indolinecarboxylic acid (CAS: 39891-70-8) falls under the GHS classification as a hazardous substance due to its potential for skin and eye irritation. It is subject to REACH regulations in the European Union, where manufacturers and importers must register substances above one tonne per year. Additionally, the FDA and EPA have specific guidelines for the handling and disposal of this compound to ensure environmental and occupational safety.

Are there alternatives to 3-Indolinecarboxylic acid (CAS: 39891-70-8) in synthesis?

Several alternatives to 3-Indolinecarboxylic acid (CAS: 39891-70-8) can be used in synthesis, including other carboxylic acids and their derivatives. For instance, 2-Indolinecarboxylic acid or related aromatic carboxylic acids can serve as effective substitutes depending on the specific reaction conditions and desired product structure.

What is the market or research trend for 3-Indolinecarboxylic acid (CAS: 39891-70-8)?

The market for 3-Indolinecarboxylic acid (CAS: 39891-70-8) is growing due to its applications in pharmaceutical and chemical research. Recent research trends focus on its use in developing new drug candidates and as a precursor in the synthesis of complex organic molecules. Industry demand is increasing as more companies explore its potential in various synthetic pathways.

How should waste containing 3-Indolinecarboxylic acid (CAS: 39891-70-8) be handled?

Waste containing 3-Indolinecarboxylic acid (CAS: 39891-70-8) should be collected in appropriate containers and disposed of according to local regulations. It is recommended to neutralize the acid before disposal to minimize environmental impact. Professional waste disposal services are preferred to ensure safe and compliant handling, including incineration or chemical treatment to prevent contamination.