1H-Indole-5-carboxylic acid

Basic Information

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CAS Number

1670-81-1

Molecular Formula

C9H7NO2

Molecular Weight

161.16 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

Melting Point

209.0 to 214.0 deg-C

Boiling Point

287.44°C (rough estimate)

Flash Point

207.6℃

Solubility

Soluble in ethanol (50 mg/ml), dimethyl sulfoxide and methanol.

Refractive Index

1.5050 (estimate)

SMILES

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C1=CC2=C(C=CN2)C=C1C(=O)O

InChI

InChI=1S/C9H7NO2/c11-9(12)7-1-2-8-6(5-7)3-4-10-8/h1-5,10H,(H,11,12)

InChIKey

IENZCGNHSIMFJE-UHFFFAOYSA-N

LogP

1.8660999999999999

Topological Polar Surface Area

53.089999999999996 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

193

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

indol-5-carboxylic acid
1H-Indole-5-carboxylicacid
Indole-5-carboxylic acid, ~95% (TLC)
CG-0516
I-2338
1H-indole-5-carboxylic acid
FT-0620501
Indole-5-carboxylic acid, 98%
Indole-5-carboxylic acid
5-indolecarboxylic acid
AKOS000265424
NCGC00342345-01
I0029
SCHEMBL105928
DTXSID80168218
CHEBI:131778
BCP27354
Indole 5-carboxylic acid
5-Carboxyindole
SB10481
AC-3143
AB00443749-03
4ZV
Z1118536235
Indole-5-carboxylic acid, 99%
AM20061193
A15286
Indole-5-carboxylic aicd
SY004023
I-2340
1670-81-1

MDL Number

MFCD00005678

Customs Code

29339990

FAQ

What regulatory guidelines apply to 1H-Indole-5-carboxylic acid (CAS: 1670-81-1)?

1H-Indole-5-carboxylic acid (CAS: 1670-81-1) is subject to various regulatory guidelines including GHS classification for hazardous chemicals, REACH regulations for EU manufacturers and importers, and FDA/EPA requirements for pharmaceutical and agricultural applications. It is crucial to comply with local and international regulations regarding storage, handling, and disposal to ensure safety and legality.

Are there alternatives to 1H-Indole-5-carboxylic acid (CAS: 1670-81-1) in synthesis?

While 1H-Indole-5-carboxylic acid (CAS: 1670-81-1) is a versatile starting material, alternatives include indole derivatives with different functional groups and other similar compounds. Common substitutes include indole-3-acetic acid (IAA) and indole-3-carbinol. These alternatives can be used in various synthetic pathways depending on the specific requirements of the reaction.

What is the market or research trend for 1H-Indole-5-carboxylic acid (CAS: 1670-81-1)?

The market for 1H-Indole-5-carboxylic acid (CAS: 1670-81-1) is driven by its applications in pharmaceuticals, pesticides, and dye synthesis. Research trends focus on its use as a precursor in drug discovery and as a functional group in organic chemistry. Market dynamics indicate increasing demand due to its versatile chemical properties and growing interest in natural product chemistry.

How should waste containing 1H-Indole-5-carboxylic acid (CAS: 1670-81-1) be handled?

Waste containing 1H-Indole-5-carboxylic acid (CAS: 1670-81-1) should be collected in appropriate containers, ensuring proper labeling and segregation. The waste should be treated through incineration or professional waste disposal services to minimize environmental impact. It is important to follow local environmental regulations and safety protocols to ensure proper handling and disposal of the waste.