5-Bromo-1H-indole-3-carboxylic acid

Basic Information

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CAS Number

10406-06-1

Molecular Formula

C9H6BrNO2

Molecular Weight

240.06 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

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Physical State

White to Yellow Solid

Melting Point

238-240°C

Boiling Point

240°C

Density

1.8±0.1 g/cm3

Flash Point

238.6±23.2 °C

Refractive Index

1.749

Vapor Pressure

0.0±1.2 mmHg at 25°C

SMILES

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C1=CC2=C(C=C1Br)C(=CN2)C(=O)O

InChI

InChI=1S/C9H6BrNO2/c10-5-1-2-8-6(3-5)7(4-11-8)9(12)13/h1-4,11H,(H,12,13)

InChIKey

JVZMBSGNSAHFCY-UHFFFAOYSA-N

LogP

2.6286000000000005

Topological Polar Surface Area

53.089999999999996 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

222

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

Synonyms & References

English

AKOS000211918
10406-06-1
5-bromo-1H-indole-3-carboxylicacid
JVZMBSGNSAHFCY-UHFFFAOYSA-N
AM20020132
5-BROMO-3-INDOLECARBOXYLIC ACID
DTXSID80426961
B4790
5-Bromo-indole-3-carboxylic acid
SCHEMBL2085712
1H-Indole-3-carboxylic acid, 5-bromo-
FS-2193
SY020530
BCP26956
AB22186
MFCD05664007
NCGC00339406-01
Q-101950
Z147652440
5-bromo-1H-indole-3-carboxylic acid
5-bromanyl-1~{H}-indole-3-carboxylic acid
FT-0649456
5-Bromoindole-3-carboxylic acid
8NZ
AB01332222-02
AC-24730
CS-W003237
EN300-23181
5-Bromo-1H-indole-3-carboxylic acid
5-Bromoindole-3-carboxylic Acid
1H-INDOLE-3-CARBOXYLIC ACID,5-BROMO-

MDL Number

MFCD05664007

Customs Code

2933990090

FAQ

What is 5-Bromo-1H-indole-3-carboxylic acid (CAS: 10406-06-1)?

5-Bromo-1H-indole-3-carboxylic acid is an organic compound with the CAS number 10406-06-1. It contains a bromine substituent at the 5-position of the indole ring and a carboxylic acid functional group. This compound is colorless or white crystalline and is used in pharmaceuticals and research applications.

What are the main uses of 5-Bromo-1H-indole-3-carboxylic acid (CAS: 10406-06-1)?

5-Bromo-1H-indole-3-carboxylic acid (CAS: 10406-06-1) is primarily used in pharmaceuticals as a precursor for the synthesis of other indole derivatives. It is also utilized in research for biological and chemical studies, particularly in the fields of medicinal chemistry and drug discovery.

Is 5-Bromo-1H-indole-3-carboxylic acid (CAS: 10406-06-1) safe?

5-Bromo-1H-indole-3-carboxylic acid (CAS: 10406-06-1) is considered safe when handled with proper precautions. It is important to avoid contact with skin and eyes, and to use appropriate personal protective equipment. It should be stored in a closed container, away from direct sunlight, at room temperature, and in a well-ventilated area.

How should 5-Bromo-1H-indole-3-carboxylic acid (CAS: 10406-06-1) be stored?

5-Bromo-1H-indole-3-carboxylic acid (CAS: 10406-06-1) should be stored in a tightly sealed container at room temperature, away from direct sunlight and heat sources. It is recommended to keep it in a cool, dry place and away from moisture. Proper storage conditions help maintain its stability and purity for effective use in research and industrial applications.