6-Fluoro-4-oxo-4H-chromene-2-carboxylic acid

Basic Information

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CAS Number

99199-59-4

Molecular Formula

C10H5FO4

Molecular Weight

208.14 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

Melting Point

258°C(dec.)

Boiling Point

347.5 °C at 760 mmHg

Density

1.582

Flash Point

163.9 °C

Refractive Index

1.614

SMILES

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C1=CC2=C(C=C1F)C(=O)C=C(O2)C(=O)O

InChI

InChI=1S/C10H5FO4/c11-5-1-2-8-6(3-5)7(12)4-9(15-8)10(13)14/h1-4H,(H,13,14)

InChIKey

JZJYDFADRMBXAW-UHFFFAOYSA-N

LogP

1.6303

Topological Polar Surface Area

67.50999999999999 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

336

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

A845978
6-Fluorochromone-2-carboxylic acid
F0744
99199-59-4
DTXSID80399267
SCHEMBL2318176
6-fluoro-4-oxo-chromene-2-carboxylic Acid
SY020193
EN300-10987
JZJYDFADRMBXAW-UHFFFAOYSA-N
AMY33428
s10905
AKOS000117372
NS-02281
6-fluoro-4-oxochromene-2-carboxylic acid
AC-5328
6-Fluoro-4-oxo-4H-chromene-2-carboxylic acid
MFCD03070543
FT-0642392
Z90665583
6-Fluoro-4-oxo-4H-1-benzopyran-2-carboxylic acid
4H-1-Benzopyran-2-carboxylic acid, 6-fluoro-4-oxo-
(5-AMINO-2-FLUORO-PHENYL)-CARBAMICACIDTERT-BUTYLESTER
6-Fluorochromone-2-carboxylic acid, 98%
CHEMBL1213611
MB02580
6-Fluorochromone-2-carboxylic Acid
6-FLUORO-4-OXO-4H-1-BENZOPYRAN-2-CARBOXYLIC ACID
6-fluoro-4-oxo-1-benzopyran-2-carboxylic acid
6-Fluorochromone-2-carboxylicacid
PubChem9710

MDL Number

MFCD03070543

Customs Code

2918300090

FAQ

What are the physical and chemical properties of 6-Fluoro-4-oxo-4H-chromene-2-carboxylic acid (CAS: 99199-59-4)?

6-Fluoro-4-oxo-4H-chromene-2-carboxylic acid is a white crystalline solid with a high melting point of about 285-287°C. Its molecular weight is approximately 254.13 g/mol. It is slightly soluble in water but more soluble in organic solvents like ethanol and acetone. The compound has good stability at room temperature but can be sensitive to moisture and light.

How is 6-Fluoro-4-oxo-4H-chromene-2-carboxylic acid (CAS: 99199-59-4) typically synthesized?

6-Fluoro-4-oxo-4H-chromene-2-carboxylic acid is usually synthesized via a multi-step process involving the reduction of 6-fluoro-4-oxo-4H-chromene followed by carboxylation. Key catalysts include palladium-based catalysts, and the process involves careful control of reaction conditions to achieve high selectivity and yield.

What industries use 6-Fluoro-4-oxo-4H-chromene-2-carboxylic acid (CAS: 99199-59-4)?

6-Fluoro-4-oxo-4H-chromene-2-carboxylic acid finds application in pharmaceuticals, where it serves as an important intermediate in drug synthesis. It is also used in the development of sensors and semiconductors for its unique optical and electronic properties.

What precautions should be taken when handling 6-Fluoro-4-oxo-4H-chromene-2-carboxylic acid (CAS: 99199-59-4)?

When handling 6-Fluoro-4-oxo-4H-chromene-2-carboxylic acid, it is important to use appropriate personal protective equipment (PPE) including gloves, goggles, and lab coats. Store the compound in a cool, dry place away from direct sunlight and moisture. In case of spill, use an appropriate absorbent material and consult the safety data sheet (SDS) for further guidance.