1H-Indole-2-carboxylic acid

Basic Information

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CAS Number

1477-50-5

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

Melting Point

202-206 °C

Boiling Point

419.6°C at 760 mmHg

Flash Point

207.6℃

Solubility

Soluble in clear yellow solution 5% in ethanol, dimethyl sulfoxide and methanol.

Refractive Index

1.5050 (estimate)

SMILES

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C1=CC=C2C(=C1)C=C(N2)C(=O)O

InChI

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

InChIKey

HCUARRIEZVDMPT-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

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

Hazard Class

Class IRRITANT Class IRRITANT

Sensitiveness

Sensitive to air

Synonyms & References

English

1H-indole-2-carbonsäure
1H-2-indolecarboxylic acid
InChI=1/C9H7NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h1-5,10H,(H,11,12)
AB00454
KBio2_001965
Indole-2-carboxylicAcid-13C
indole carboxylic acid
BB 0242376
SY003715
FT-0627228
SpecPlus_000676
2-indol carboxylic acid
indolecarboxylic acid
1H-Indole-2-carboxylic
carboxyindole
1477-50-5
Z56347139
STR02479
KBio2_007101
SCHEMBL1935
AQ-776/40177767
F0451-0610
2-Indolecarboxylate
KBio1_001716
2-INDOLE CARBOXYLIC ACID
2-INDOLYLFORMIC ACID
BCP00082
Spectrum3_000943
HY-I0096
KBio2_004533
1H-Indole-2-carboxylic acid

MDL Number

MFCD00005611

Customs Code

29339990

FAQ

What is 1H-Indole-2-carboxylic acid (CAS: 1477-50-5)?

1H-Indole-2-carboxylic acid is an organic compound with the chemical formula C8H7NO2. It is a heterocyclic carboxylic acid characterized by an indole ring system and a carboxyl group. This compound is commonly used as an intermediate in the synthesis of various pharmaceuticals and bioactive molecules.

What are the main uses of 1H-Indole-2-carboxylic acid (CAS: 1477-50-5)?

1H-Indole-2-carboxylic acid is primarily used in pharmaceutical research for the development of drugs targeting neurological and psychiatric disorders. It also serves as a building block in the synthesis of agrochemicals, dyes, and other organic compounds. Its applications span across medicinal chemistry, industrial synthesis, and biochemical studies.

Is 1H-Indole-2-carboxylic acid (CAS: 1477-50-5) safe?

1H-Indole-2-carboxylic acid is generally considered safe when handled properly. However, it should be treated with care as it may cause skin and eye irritation. Safety data sheets recommend using protective gloves, goggles, and ensuring proper ventilation. It is classified as a moderate hazard chemical under standard handling conditions.

How should 1H-Indole-2-carboxylic acid (CAS: 1477-50-5) be stored?

1H-Indole-2-carboxylic acid should be stored in a cool, dry, and well-ventilated place, away from light. It is typically kept in sealed containers at a temperature below 25°C. Avoid exposure to moisture and incompatible substances to maintain its stability and prevent degradation.