4-(1H-Indol-3-yl)butanoic acid

Basic Information

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CAS Number

133-32-4

Molecular Formula

C12H13NO2

Molecular Weight

203.24 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

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

123.0 to 126.0 deg-C

Boiling Point

341.55°C (rough estimate)

Water Solubility

Soluble in water(0.25g/L).

Flash Point

211.8 °C

Refractive Index

1.5440 (estimate)

SMILES

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OC(=O)CCCc1c[nH]c2c1cccc2

InChI

InChI=1S/C12H13NO2/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,8,13H,3-4,7H2,(H,14,15)

InChIKey

JTEDVYBZBROSJT-UHFFFAOYSA-N

LogP

2.5752000000000006

Topological Polar Surface Area

53.089999999999996 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

230

Safety Information

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GHS Hazard Pictograms

H301

H315

H319

H335

Hazard Statement

H301 Toxic 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

Hazard Class

Class 6.1 Class 6.1

Stability

Stable. Incompatible with strong oxidizing agents. Light sensitive.

Sensitiveness

Air Sensitive

Toxicity

LD50 i.p. in mice: 100 mg/kg (Anderson)

Synonyms & References

English

4-(1H-Indol-3-yl)butanoic acid
IBA
4-(3-1H-Indolyl)butyric acid
Indole-3-butyric acid IBA
4-(3-Indolyl)butyric acid
Indole-3-butyric acid,[4-(3-Indolyl)butyric acid]
Indole-3-butyric acid
Naftidrofuryl
1H-INDOLE-3-BUTYRIC ACID
2 -naphthalene acid
3-indolebutyric acid
3-Indolebutyricacid Solution
1h-indole-3-butanoicacid
3-INDOLEBUTYVIC ACID
3-IndolybutYHic acid
3-Indolybutyric acid
3-Indolylbutyric acid
3-indolyl-gamma-butyricacid
4-(3-INDOLE)-BUTYRIC ACID
4-(3-Indolyl)butyric acid (4-(3-Indolyl)butanoic acid
4-(indol-3-yl)butyricacid
4-(indolyl)-butyricaci
4-indolylbutyric acid
beta-indolebutyricacid
gamma-(indol-3-yl)butyricacid
Kenting acid
Hormodin
Seradix
JBAA
Hormex
Rootex

MDL Number

MFCD00005664

Customs Code

2942000000

FAQ

What is 4-(1H-Indol-3-yl)butanoic acid (CAS: 133-32-4)?

4-(1H-Indol-3-yl)butanoic acid is a chemical compound with the CAS number 133-32-4. Its chemical formula is C12H12N2O2. This compound is a derivative of indole and has a butanoic acid group attached at the 4th position. It is a white to off-white solid with a slightly acidic character and is commonly used in the development of pharmaceuticals and organic synthesis.

What are the main uses of 4-(1H-Indol-3-yl)butanoic acid (CAS: 133-32-4)?

4-(1H-Indol-3-yl)butanoic acid is primarily used in pharmaceutical research for the synthesis of various drugs, particularly those targeting neurological disorders. It also serves as an intermediate in the production of certain agrochemicals and is utilized in organic chemistry for the creation of complex molecules and functional groups.

Is 4-(1H-Indol-3-yl)butanoic acid (CAS: 133-32-4) safe?

4-(1H-Indol-3-yl)butanoic acid is generally considered safe when handled properly, but it may have mild toxic effects if ingested or inhaled in large quantities. It is important to follow standard laboratory safety protocols, including the use of protective equipment and proper ventilation. Safety data sheets should be consulted for specific handling guidelines and exposure limits.

How should 4-(1H-Indol-3-yl)butanoic acid (CAS: 133-32-4) be stored?

4-(1H-Indol-3-yl)butanoic acid should be stored in a cool, dry, and well-ventilated place, away from light and moisture. It is typically kept in sealed containers to prevent degradation. Storage conditions should maintain a temperature range of 2-8°C, and it should be protected from strong oxidizing agents to ensure stability and prolong shelf life.