Indole-3-carboxylic acid

Inquiry

For Research Use Only.

Category

Alkaloids

Cat.No.

NP0090

CAS

771-50-6

Product Name

Indole-3-carboxylic acid

Structure

Product Details

Description

1H-Indole-3-carboxylic acid can be found in the roots of Carpesium abrotanoides.

Synonyms

1H-indole-3-carboxylic acid

IUPAC Name

1H-indole-3-carboxylic acid

Molecular Weight

161.16

Molecular Formula

C9H7NO2

Canonical SMILES

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

InChI

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

InChIKey

KMAKOBLIOCQGJP-UHFFFAOYSA-N

Boiling Point

419.6 °C at 760 mmHg

Melting Point

232-234°C (dec.)(lit.)

Purity

> 98 %

Density

1.408 g/cm³

Solubility

Soluble in 95% Ethanol: 50 mg/mL, also soluble in methanol.

Appearance

Powder

Storage

2-8°C

BRN

129435

Definition

ChEBI: Indole-3-carboxylic acid is an indole-3-carboxylic acid carrying a carboxy group at position 3. It has a role as a human metabolite and a bacterial metabolite. It is a conjugate acid of an indole-3-carboxylate.

EINECS

212-231-6

Form

Powder

Hazard Class

IRRITANT

Hazard Codes

Xn,Xi

HS Code

29339900

MDL

MFCD00005624

pKa

3.90±0.10(Predicted)

Refractive Index

1.5050 (estimate)

Risk Statements

36/37/38-21/22

RTECS

NK7882892

Safety Statements

22-24/25-36/37/39-26

WGK Germany

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