2-[(1Z)-5-fluoro-1-[(4-methanesulfinylphenyl)methylidene]-2-methyl-1H-inden-3-yl]acetic acid

Basic Information

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CAS Number

38194-50-2

Molecular Formula

C20H17FO3S

Molecular Weight

356.42 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

182.0 to 186.0 deg-C

Boiling Point

581.6°C at 760 mmHg

Water Solubility

Soluble in water, methanol, ethanol.

Flash Point

305.6 °C

Refractive Index

1.672

SMILES

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CC/1=C(CC(=O)O)c2cc(F)ccc2\C1=C/c3ccc(cc3)S(=O)C

InChI

InChI=1S/C20H17FO3S/c1-12-17(9-13-3-6-15(7-4-13)25(2)24)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-

InChIKey

MLKXDPUZXIRXEP-MFOYZWKCSA-N

LogP

4.3655000000000035

pKa

pKa (25°) 4.7

Topological Polar Surface Area

54.37 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

616

Safety Information

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Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

H317 May cause an allergic skin reaction
Sensitization, Skin

H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled
Sensitization, respiratory

H361 Suspected of damaging fertility or the unborn child
Reproductive toxicity

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

(Z)-2-(5-Fluoro-2-methyl-1-(4-(methylsulfinyl)benzylidene)-1H-inden-3-yl)acetic acid
Sulindac
(Z)-2-(5-Fluoro-2-methyl-1-(4-(methylsulfinyl)-benzylidene)-1H-inden-3-yl)acetic acid
SULINDAC(RG)
(Z)-2-(3-(4-(methylsulfinyl)benzylidene)-6-fluoro-2-methyl-3H-inden-1-yl)acetic acid
(Z)-5-Fluoro-2-methyl-1-[p-(methylsulfinyl)benzylidene]indene-3-acetic acid
Aclin
AFLODAC
Clinoril
Clinoril,Aflodac,Sulreuma
Clusinol
Imbaral
MK-231
mobilin
ReuMyl
Saldac
Sudac
SULINOL
SULREUMA
(Z)-5-Fluoro-2-methyl-1-[(p-methylsulfinyl)benzylidene]-1H-indene-3-acetic Acid
(Z)-2-[5-Fluoro-2-methyl-1-[4-(methylsulfinyl)benzylidene]-1H-inden-3-yl]acetic Acid

MDL Number

MFCD00599589

Customs Code

2930909090

FAQ

What is 2-[(1Z)-5-fluoro-1-[(4-methanesulfinylphenyl)methylidene]-2-methyl-1H-inden-3-yl]acetic acid (CAS: 38194-50-2)?

2-[(1Z)-5-fluoro-1-[(4-methanesulfinylphenyl)methylidene]-2-methyl-1H-inden-3-yl]acetic acid (CAS 38194-50-2) is a complex organic compound characterized by a fluoro-substituted inden-3-yl group and a methanesulfinylphenyl substituent. It is a white to off-white solid with a molecular formula of C20H16F3O3S and exhibits moderate solubility in polar solvents. This compound is often used in medicinal chemistry research due to its potential biological activity.

What are the main uses of 2-[(1Z)-5-fluoro-1-[(4-methanesulfinylphenyl)methylidene]-2-methyl-1H-inden-3-yl]acetic acid (CAS: 38194-50-2)?

This compound is primarily utilized in pharmaceutical research for the development of drugs targeting specific biological pathways. It may serve as a lead compound in the synthesis of anti-inflammatory or antitumor agents. Additionally, it is used in organic synthesis as a building block and in chemical studies to explore reactivity and functional group behavior.

Is 2-[(1Z)-5-fluoro-1-[(4-methanesulfinylphenyl)methylidene]-2-methyl-1H-inden-3-yl]acetic acid (CAS: 38194-50-2) safe?

While specific toxicity data for this compound may be limited, it is generally considered safe when handled properly in controlled environments. Precautions include wearing protective gloves, goggles, and lab coats to avoid skin and eye contact. It should be stored in a well-ventilated area and kept away from incompatible substances to ensure safety during laboratory use.

How should 2-[(1Z)-5-fluoro-1-[(4-methanesulfinylphenyl)methylidene]-2-methyl-1H-inden-3-yl]acetic acid (CAS: 38194-50-2) be stored?

This compound should be stored in a cool, dry, and dark place, preferably at 2-8°C. It is important to maintain low humidity levels and avoid exposure to direct light. Keep in a sealed container made of inert material to prevent degradation and contamination. Storage in a fume hood or under a nitrogen atmosphere is recommended for long-term stability.