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

Basic Information

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CAS Number

898746-91-3

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

Melting Point

235-240°C

Density

1.838

SMILES

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C1=CNC2=CC(=CC(=C21)C(=O)O)Br

InChI

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

InChIKey

LIXZNRVUWPYCNC-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

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

Synonyms & References

English

6-Bromo-1H-indole-4-carboxylic acid
1H-Indole-4-carboxylicacid, 6-bromo-
6-Bromo-4-indole carboxylic acid
6-Bromo-4-indole carboxylic acid
6-Bromoindole-4-carboxylic acid
6-BROMO-4-INDOLE CARBOXYLIC ACID
6-bromo-4-indolecarboxylic acid
6-Bromo-4-indolecarboxylicacid
BCP11444
RW3764
RW4010
CB0233
PB20271
FCH1389153
OR322942
AX8108497
AB0027432
W9263
6-Bromo-1H-indole-4-carboxylic acid (ACI)
6-bromo-1H-indole-4-carboxylic acid
DB-078534
SCHEMBL16115819
DTXSID30646571
6-bromo-4-indole carboxylic acid
10.14272/LIXZNRVUWPYCNC-UHFFFAOYSA-N.1
AKOS015855872
FS-3547
CS-W008655
MFCD08458974
BP-13134
898746-91-3

MDL Number

MFCD08458974

Customs Code

2933990090

FAQ

What is 6-Bromo-1H-indole-4-carboxylic acid (CAS: 898746-91-3)?

6-Bromo-1H-indole-4-carboxylic acid (CAS: 898746-91-3) is a derivative of indole with a bromine substituent at the 6-position. It is an organic compound with a molecular formula of C11H9BrNO2. This compound exhibits a distinctive aroma and is used in various applications including pharmaceuticals and research due to its structural properties.

What are the main uses of 6-Bromo-1H-indole-4-carboxylic acid (CAS: 898746-91-3)?

6-Bromo-1H-indole-4-carboxylic acid (CAS: 898746-91-3) is primarily used in the pharmaceutical industry for the synthesis of bioactive compounds. It is also utilized in research for studying indole derivatives and their potential applications in medicine and other scientific fields.

Is 6-Bromo-1H-indole-4-carboxylic acid (CAS: 898746-91-3) safe?

6-Bromo-1H-indole-4-carboxylic acid (CAS: 898746-91-3) is generally safe when handled with proper precautions. It is important to wear appropriate personal protective equipment, such as gloves and safety glasses, and to work in a well-ventilated area. Avoid skin contact and inhalation of dust or fumes.

How should 6-Bromo-1H-indole-4-carboxylic acid (CAS: 898746-91-3) be stored?

6-Bromo-1H-indole-4-carboxylic acid (CAS: 898746-91-3) should be stored in a cool, dry place away from direct sunlight. It should be kept in a tightly sealed container to prevent moisture absorption. The storage temperature should be maintained between 15°C and 25°C, and the container should be away from heat sources and incompatible materials.