Benzenesulfonic acid hydrate (1:1)

Basic Information

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CAS Number

26158-00-9

Molecular Formula

C6H8O4S

Molecular Weight

176.19 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

42-49 °C

Water Solubility

transparency

Flash Point

53 °C

SMILES

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C1=CC=C(C=C1)S(=O)(=O)O.O

InChI

InChI=1S/C6H6O3S.H2O/c7-10(8,9)6-4-2-1-3-5-6;/h1-5H,(H,7,8,9);1H2

InChIKey

MVIOINXPSFUJEN-UHFFFAOYSA-N

LogP

0.10860000000000014

Topological Polar Surface Area

85.87 Å²

Hydrogen Bond Donor/Acceptor

3 / 4

Complexity

184

Safety Information

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GHS Hazard Pictograms

H314

Hazard Statement

H314 Causes severe skin burns and eye damage
Skin corrosion/irritation

Hazard Class

Class 8 Class 8

Synonyms & References

English

Hydroxybenzenesulphonic acid
D77990
benzenesulfonic acid hydrate
benzenesulfonic acid;hydrate
benzene sulfonic acid hydrate
benzenesulfonic acid mono hydrate
SCHEMBL338461
UN1803
Bezenesulfonic acid monohydrate
HYDROXYBENZENESULFONIC ACID
EINECS 215-587-0
4OOD0LGW0Q
Benzenesulfonic acid--water (1/1)
26158-00-9
CS-W016014
Benzenesulfonic acid, monohydrate
A901646
Benzenesulfonic acid monohydrate, 97%
EPA Pesticide Chemical Code 064102
Benzenesulfonic acid, hydrate (1:1)
J-016287
DTXSID70575831
Sulfophenol
F0001-0868
HSDB 5818
Phenolsulfonic acid, liquid
Caswell No. 650
MVIOINXPSFUJEN-UHFFFAOYSA-N
FT-0778172
UNII-4OOD0LGW0Q
MFCD00149976

MDL Number

MFCD00011689

FAQ

What are the physical and chemical properties of Benzenesulfonic acid hydrate (1:1) (CAS: 26158-00-9)?

Benzenesulfonic acid hydrate (1:1) is a crystalline solid with a molecular weight of approximately 176.14 g/mol. It has a pKa of about 2.9 and is slightly soluble in water. The compound is reactive towards nucleophiles and can act as an acid in aqueous solutions. It melts at around 165°C and is stable under normal conditions.

How is Benzenesulfonic acid hydrate (1:1) (CAS: 26158-00-9) typically synthesized?

Benzenesulfonic acid hydrate (1:1) is typically synthesized by sulfonation of benzene and subsequent hydration. The sulfonation step is catalyzed by concentrated sulfuric acid, and the hydration can be achieved using water or other solvents under various conditions. The process requires careful control of temperature and concentration to achieve high yield and selectivity.

What industries use Benzenesulfonic acid hydrate (1:1) (CAS: 26158-00-9)?

Benzenesulfonic acid hydrate (1:1) is used in pharmaceuticals, primarily as a raw material for synthesizing drug intermediates. It is also utilized in the production of polymers, especially for modifying the properties of synthetic resins and fibers. Additionally, it finds applications in the development of sensors and semiconductors due to its acidic nature and reactivity.

What precautions should be taken when handling Benzenesulfonic acid hydrate (1:1) (CAS: 26158-00-9)?

When handling Benzenesulfonic acid hydrate (1:1), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, lab coat, and safety goggles. Use a fume hood during preparation and storage to minimize exposure to vapors. Store the compound in a cool, dry place away from direct sunlight and heat sources. In case of spill, use appropriate cleanup materials and consult the Safety Data Sheet (SDS) for detailed instructions.