4-Sulfanylbenzoic acid

Basic Information

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CAS Number

1074-36-8

Molecular Formula

C7H6O2S

Molecular Weight

154.19 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

215-224 °C

Boiling Point

314.3oC at 760 mmHg

Density

1.3450

Flash Point

143.9 oC

Refractive Index

1.552

SMILES

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C1=CC(=CC=C1C(=O)O)S

InChI

InChI=1S/C7H6O2S/c8-7(9)5-1-3-6(10)4-2-5/h1-4,10H,(H,8,9)

InChIKey

LMJXSOYPAOSIPZ-UHFFFAOYSA-N

LogP

1.6735

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

128

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

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

Hazard Class

Class 9 Class 9

Stability

Store Under Argon; Air and Temperature Sensitive

Sensitiveness

Sensitive to air

Synonyms & References

English

FT-0618860
EN300-26533
M1294
4-Mercaptobenzoate
4-mercaptobenzoic acid, technical grade
4-Sulfanylbenzoic acid
F2182-0142
4-carboxythiophenol
4-Mercaptobenzoic acid, technical grade, 90%
Z223639246
4-mercaptobenzenecarboxylic acid
MFCD00016617
AKOS009106886
NSC 32022
4-Thiobenzoic acid
NSC32022
CS-W018038
Benzoic acid, p-mercapto-
DTXSID40148036
STR03027
NS00123216
CHEMBL98938
PS-4543
4-Mercaptobenzoic acid
1074-36-8
4-Mercaptobenzoic acid, 99%
4-Mercapto-benzoic acid
4-Sulfanylbenzoic acid #
SCHEMBL40593
NSC-32022
LMJXSOYPAOSIPZ-UHFFFAOYSA-

MDL Number

MFCD00016617

Customs Code

2930909090

FAQ

What are the physical and chemical properties of 4-Sulfanylbenzoic acid (CAS: 1074-36-8)?

4-Sulfanylbenzoic acid (CAS: 1074-36-8) is a white crystalline solid with a molecular weight of approximately 172.21 g/mol. It is slightly soluble in water and has a pKa around 3.8. This acid exhibits typical reactivity of carboxylic acids, including esterification and amide formation. It is also known for its reducing properties under certain conditions.

How is 4-Sulfanylbenzoic acid (CAS: 1074-36-8) typically synthesized?

4-Sulfanylbenzoic acid can be synthesized from benzoic acid via sulfonation. This process involves treating benzoic acid with sulfur trioxide (SO3) in the presence of a solvent like methanol. Other methods include direct sulfonation of benzene followed by oxidation of the sulfide to the acid.

What industries use 4-Sulfanylbenzoic acid (CAS: 1074-36-8)?

4-Sulfanylbenzoic acid finds applications in pharmaceuticals for use as a precursor in drug synthesis, in polymers for enhancing properties like thermal stability, and in sensors for detecting specific analytes. It also has uses in the semiconductor industry for certain cleaning and processing applications.

What precautions should be taken when handling 4-Sulfanylbenzoic acid (CAS: 1074-36-8)?

Handling 4-Sulfanylbenzoic acid requires the use of personal protective equipment (PPE) such as gloves and goggles. It should be conducted in a well-ventilated area or a fume hood to avoid inhalation of dust or vapor. Spills should be cleaned up with appropriate absorbent materials and disposed of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling instructions.