5-Chloro-4-fluoro-1H-indole-2-carboxylic acid

Basic Information

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CAS Number

186446-26-4

Molecular Formula

C9H5ClFNO2

Molecular Weight

213.6 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 Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Physical State

Yellow to Brown Solid

Melting Point

270-280 ºC

Boiling Point

455.4 °C at 760 mmHg

Flash Point

229.2 °C

SMILES

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C1=CC(=C(C2=C1NC(=C2)C(=O)O)F)Cl

InChI

InChI=1S/C9H5ClFNO2/c10-5-1-2-6-4(8(5)11)3-7(12-6)9(13)14/h1-3,12H,(H,13,14)

InChIKey

GOPLNYXPDXOWSO-UHFFFAOYSA-N

LogP

2.6586

Topological Polar Surface Area

53.089999999999996 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

251

Safety Information

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Hazard Statement

H302 Harmful 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

Synonyms & References

English

DTXSID10617224
5-CHLORO-4-FLUORO-1H-INDOLE-2-CARBOXYLIC ACID
MFCD09835295
AS-35895
AMY21081
SCHEMBL1504212
1H-Indole-2-carboxylic acid, 5-chloro-4-fluoro-
5-Chloro-4-fluoro-1h-indole-2-carboxylicacid
CS-0171482
5-chloro-4-fluoroindole-2-carboxylic acid
EN300-257355
AKOS005762890
A880655
Z1269173725
186446-26-4
AB53306
5-Chloro-4-fluoro-1H-indole-2-carboxylic acid
4-fluoro-5-chloroindole-2-carboxylic acid
5-chloro-4-fluoro-1H-indole-2-carboxylic acid

MDL Number

MFCD09835295

FAQ

What is 5-Chloro-4-fluoro-1H-indole-2-carboxylic acid (CAS: 186446-26-4)?

5-Chloro-4-fluoro-1H-indole-2-carboxylic acid (CAS: 186446-26-4) is a derivative of indole with a carboxylic acid group attached to the 2-position, containing chlorine and fluorine substituents. This compound is characterized by its aromatic ring structure and is used in pharmaceutical research and development.

What are the main uses of 5-Chloro-4-fluoro-1H-indole-2-carboxylic acid (CAS: 186446-26-4)?

5-Chloro-4-fluoro-1H-indole-2-carboxylic acid (CAS: 186446-26-4) is primarily used in the pharmaceutical industry for synthesizing drugs, particularly in the development of potential anti-inflammatory and anti-cancer compounds. It also has applications in the research of indole derivatives for various biological activities.

Is 5-Chloro-4-fluoro-1H-indole-2-carboxylic acid (CAS: 186446-26-4) safe?

5-Chloro-4-fluoro-1H-indole-2-carboxylic acid (CAS: 186446-26-4) is generally considered safe when handled with appropriate personal protective equipment (PPE) and following standard laboratory safety protocols. However, it is important to use caution due to its potential for skin and eye irritation. Adequate ventilation and proper disposal methods should be employed.

How should 5-Chloro-4-fluoro-1H-indole-2-carboxylic acid (CAS: 186446-26-4) be stored?

5-Chloro-4-fluoro-1H-indole-2-carboxylic acid (CAS: 186446-26-4) should be stored in a cool, dry place, away from direct sunlight and heat sources. It is recommended to store it in a tightly sealed container to prevent degradation and contamination. Proper labeling and adherence to chemical storage best practices are essential to ensure safety and efficacy.