2,3,5,6-Tetrafluoro-4-sulfanylbenzoic acid

Basic Information

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CAS Number

5211-44-9

Molecular Formula

C7H2F4O2S

Molecular Weight

226.15 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

151.0 to 155.0 deg-C

Boiling Point

273.3°Cat760mmHg

Density

1.72

Flash Point

119.1°C

Refractive Index

1.541

SMILES

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C1(=C(C(=C(C(=C1F)F)S)F)F)C(=O)O

InChI

InChI=1S/C7H2F4O2S/c8-2-1(7(12)13)3(9)5(11)6(14)4(2)10/h14H,(H,12,13)

InChIKey

USFMEWZQIHKRDP-UHFFFAOYSA-N

LogP

2.2298999999999998

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

224

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

T2542
SCHEMBL2356152
5211-44-9
NSC-168719
2,3,5,6-TETRAFLUORO-4-MERCAPTO-BENZOIC ACID
2,3,5,6-tetrafluoro-4-sulfanyl-benzoic acid
XHG3CU8QRS
CS-0170373
DTXSID60200120
2,3,5,6-Tetrafluoro-4-mercaptobenzoic acid
MFCD00129954
BS-22784
Benzoic acid, 2,3,5,6-tetrafluoro-4-mercapto-
UNII-XHG3CU8QRS
T72565
2,3,5,6-Tetrafluoro-4-mercaptobenzoicacid
NSC168719
2,3,5,6-tetrafluoro-4-sulfanylbenzoic acid
NSC 168719
A913385
4-mercapto-2,3,5,6-tetrafluorobenzoic acid
YSWG578
Benzoic acid,2,3,5,6-tetrafluoro-4-mercapto-
2,3,5,6-Tetrafluoro-4-mercaptobenzoic Acid
2,3,5,6-tetrafluoro-4-mercapto-Benzoic acid
4-Mercapto-2,3,5,6-tetrafluorobenzoic acid
Tetrafluoro-4-mercaptobenzoicacid

MDL Number

MFCD00129954

Customs Code

2930909090

FAQ

What are the physical and chemical properties of 2,3,5,6-Tetrafluoro-4-sulfanylbenzoic acid (CAS: 5211-44-9)?

2,3,5,6-Tetrafluoro-4-sulfanylbenzoic acid (CAS: 5211-44-9) is a crystalline solid with a molecular weight of approximately 262.04 g/mol. It has limited solubility in water but is more soluble in organic solvents like ethanol and acetone. Chemically, it is relatively stable but can undergo substitution reactions under certain conditions. It is an acid, and therefore, reacts with bases to form salts.

How is 2,3,5,6-Tetrafluoro-4-sulfanylbenzoic acid (CAS: 5211-44-9) typically synthesized?

2,3,5,6-Tetrafluoro-4-sulfanylbenzoic acid is typically synthesized through the reaction of 4-sulfanylbenzoic acid with carbon tetrafluoride in the presence of a suitable catalyst such as potassium fluoride. The reaction yields a high purity product with good selectivity, and the overall yield is around 85% to 90%. The method is known for its efficiency and reproducibility.

What industries use 2,3,5,6-Tetrafluoro-4-sulfanylbenzoic acid (CAS: 5211-44-9)?

2,3,5,6-Tetrafluoro-4-sulfanylbenzoic acid (CAS: 5211-44-9) is used in the pharmaceutical industry for the synthesis of certain drugs, in the polymer industry for its fluorochemical properties, in the semiconductor industry for its use in photoresists, and in the sensor industry due to its reactivity and stability.

What precautions should be taken when handling 2,3,5,6-Tetrafluoro-4-sulfanylbenzoic acid (CAS: 5211-44-9)?

When handling 2,3,5,6-Tetrafluoro-4-sulfanylbenzoic acid (CAS: 5211-44-9), it is crucial to use appropriate personal protective equipment (PPE) such as gloves, safety goggles, and lab coats. The substance should be handled in a well-ventilated area or under a fume hood to prevent inhalation. Spills should be cleaned up with appropriate absorbent materials, and the area should be flushed with water. Always consult the Safety Data Sheet (SDS) for detailed handling and disposal procedures.