7-Fluoro-1H-indole-3-carboxylic acid

Basic Information

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CAS Number

858515-66-9

Molecular Formula

C9H6FNO2

Molecular Weight

179.15 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

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

SMILES

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c1cc2c(c[nH]c2c(c1)F)C(=O)O

InChI

InChI=1S/C9H6FNO2/c10-7-3-1-2-5-6(9(12)13)4-11-8(5)7/h1-4,11H,(H,12,13)

InChIKey

BGNHSQYGVIUBBX-UHFFFAOYSA-N

LogP

2.0052

Topological Polar Surface Area

53.09 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

222

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

7-Fluoro-1H-indole-3-carboxylic acid
1H-INDOLE-3-CARBOXYLIC ACID,7-FLUORO
7-Fluoroindole-3-carboxylic acid
BGNHSQYGVIUBBX-UHFFFAOYSA-N
FCH878775
VI30354
SY058815
AX8238476
Y4338
ST24045653
F12327
7-fluoro-1H-indole-3-carboxylic acid

MDL Number

MFCD09954940

FAQ

What regulatory guidelines apply to 7-Fluoro-1H-indole-3-carboxylic acid (CAS: 858515-66-9)?

7-Fluoro-1H-indole-3-carboxylic acid (CAS: 858515-66-9) is subject to various regulatory guidelines including GHS classification, REACH regulations, and FDA/EPA requirements. It is classified as a hazardous chemical under GHS due to its potential toxicity and reactivity. REACH regulations require detailed documentation and risk management strategies. FDA and EPA regulations may dictate specific handling and disposal procedures to ensure environmental safety and worker protection.

Are there alternatives to 7-Fluoro-1H-indole-3-carboxylic acid (CAS: 858515-66-9) in synthesis?

While 7-Fluoro-1H-indole-3-carboxylic acid (CAS: 858515-66-9) is a key intermediate in certain syntheses, alternatives include similar indoles with different functional groups or other aromatic carboxylic acids. These alternatives may offer similar reactivity but with different physical and chemical properties. Common substitutes include 7-chloro-1H-indole-3-carboxylic acid and 7-methoxy-1H-indole-3-carboxylic acid, which can be used depending on the specific needs of the synthesis.

What is the market or research trend for 7-Fluoro-1H-indole-3-carboxylic acid (CAS: 858515-66-9)?

The market for 7-Fluoro-1H-indole-3-carboxylic acid (CAS: 858515-66-9) is driven by its use in the development of pharmaceuticals and agrochemicals. Research trends indicate a growing interest in indole derivatives due to their potential in drug discovery. Market demand is expected to increase with advancements in synthetic methodologies and the exploration of new applications in medicinal chemistry. Emerging studies focus on optimizing synthesis routes and identifying biologically active compounds.

How should waste containing 7-Fluoro-1H-indole-3-carboxylic acid (CAS: 858515-66-9) be handled?

Waste containing 7-Fluoro-1H-indole-3-carboxylic acid (CAS: 858515-66-9) should be collected in properly labeled containers and stored in a secure, well-ventilated area. For disposal, the waste should be treated through incineration or professional waste disposal services that comply with local regulations. Environmental protection measures include ensuring no leakage or spillage, and following all safety protocols to prevent contamination. Proper documentation of the waste management process is also essential to meet regulatory requirements.