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

Basic Information

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CAS Number

110811-31-9

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

SMILES

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

InChI

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

InChIKey

GJQQLCJFHKJARJ-UHFFFAOYSA-N

LogP

2.6286000000000005

Topological Polar Surface Area

53.089999999999996 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

222

Synonyms & References

English

SB30669
4-Bromo-1H-indole-3-carboxylic acid
J-514818
4-bromoindole-3-carboxylic acid
SCHEMBL2769281
AKOS005207759
FT-0749077
SY058803
CS-0097547
EN300-117652
DTXSID40553666
4-bromoindole-3-carboxylicacid
1H-Indole-3-carboxylicacid, 4-bromo-
AS-32980
Z1269168514
110811-31-9
MFCD09817565
4-Bromo-1-(tert-butoxycarbonyl)-1H-indole-3-carboxylic acid
4-bromo-1H-indole-3-carboxylic acid
1H-Indole-3-carboxylicacid,4-bromo
3-Carboxy-4-bromo-1H-indole
4-bromo1H-indole-3-carboxylic acid
4-bromo-3-indolecarboxylic acid
2675AJ
SBB099197
Z1511494592

MDL Number

MFCD09817565

Customs Code

2933990090

FAQ

What is 4-Bromo-1H-indole-3-carboxylic acid (CAS: 110811-31-9)?

4-Bromo-1H-indole-3-carboxylic acid is a chemical compound with the CAS number 110811-31-9. It is a white solid with a molecular formula of C11H9BrNO2. This compound is known for its aromatic nature and can be used in various applications due to its structural properties.

What are the main uses of 4-Bromo-1H-indole-3-carboxylic acid (CAS: 11081-31-9)?

4-Bromo-1H-indole-3-carboxylic acid is primarily used in pharmaceutical research for the synthesis of drugs and as a precursor in the development of new chemical entities. It also finds applications in natural product chemistry and as a research tool in organic synthesis.

Is 4-Bromo-1H-indole-3-carboxylic acid (CAS: 110811-31-9) safe?

4-Bromo-1H-indole-3-carboxylic acid is considered safe under proper handling conditions. However, it should be handled with care due to its potential to irritate the skin and eyes. Protective equipment such as gloves and safety glasses are recommended when working with this compound.

How should 4-Bromo-1H-indole-3-carboxylic acid (CAS: 110811-31-9) be stored?

4-Bromo-1H-indole-3-carboxylic acid should be stored in a cool, dry, and well-ventilated area away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent moisture and air exposure. The storage temperature should be maintained below 25°C to ensure stability of the compound.