4-Chlorobenzenesulfonic acid

Basic Information

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CAS Number

98-66-8

Molecular Formula

C6H5ClO3S

Molecular Weight

192.62 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

102 ºC

Boiling Point

149 °C/22 mmHg

Density

1.449 (estimate)

Water Solubility

very faint turbidity

Flash Point

108 C

SMILES

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C1=CC(=CC=C1S(=O)(=O)O)Cl

InChI

InChI=1S/C6H5ClO3S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H,8,9,10)

InChIKey

RJWBTWIBUIGANW-UHFFFAOYSA-N

LogP

1.5867

Topological Polar Surface Area

54.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

211

Safety Information

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GHS Hazard Pictograms

H302

H314

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

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

Hazard Class

Class 8 Class 8

Stability

Stable. Incompatible with strong oxidizing agents.

Synonyms & References

English

4-Chlorobenzenesulphonic acid
F3099-6892
MFCD00065342
NCGC00255723-01
5CN6B87IK2
AM101771
CAS-98-66-8
CHEMBL1224628
AKOS002303176
Q27261838
NS00040538
CS-0016006
4-Chloro-benzenesulfonic acid
4-Chloro Benzene Sulfonic Acid
NCI60_000700
A845891
p-Chlorobenzenesulfonic acid
Tox21_302072
4-11-00-00107 (Beilstein Handbook Reference)
EINECS 202-690-0
D89278
FT-0631511
DTXCID5024473
DTXSID7044473
Benzenesulfonic acid, 4-chloro-
p-chlorobenzene sulfonic acid
AC-17054
VS-12644
4-Chlorobenzenesulfonic Acid Hydrate
InChI=1/C6H5ClO3S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H,8,9,10
98-66-8

MDL Number

MFCD00065342

Customs Code

2904909090

FAQ

What regulatory guidelines apply to 4-Chlorobenzenesulfonic acid (CAS: 98-66-8)?

4-Chlorobenzenesulfonic acid (CAS: 98-66-8) falls under the classification of a hazardous chemical under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS). It is subject to specific regulations such as REACH in the European Union, which requires registration, evaluation, authorization, and restriction of chemicals. Additionally, the U.S. Food and Drug Administration (FDA) and Environmental Protection Agency (EPA) have specific guidelines for the handling, labeling, and disposal of this compound to ensure worker safety and environmental protection.

Are there alternatives to 4-Chlorobenzenesulfonic acid (CAS: 98-66-8) in synthesis?

Several alternatives to 4-Chlorobenzenesulfonic acid (CAS: 98-66-8) can be used in synthesis, depending on the specific requirements of the reaction. Common alternatives include tosyl chloride and mesyl chloride, which offer similar functionality. Additionally, other sulfonic acids like p-toluenesulfonic acid or benzenesulfonic acid can be substituted based on the reaction conditions and desired product.

What is the market or research trend for 4-Chlorobenzenesulfonic acid (CAS: 98-66-8)?

4-Chlorobenzenesulfonic acid (CAS: 98-66-8) is primarily used in the pharmaceutical, dye-making, and chemical industries. Research trends indicate a growing interest in its use as a catalyst in various chemical transformations. Market dynamics show increasing demand due to its reactivity and ability to act as a sulfonating agent. Recent studies focus on developing more sustainable and environmentally friendly processes for its production and use.

How should waste containing 4-Chlorobenzenesulfonic acid (CAS: 98-66-8) be handled?

Waste containing 4-Chlorobenzenesulfonic acid (CAS: 98-66-8) should be collected in appropriate containers lined with plastic to prevent leakage. The waste should be handled according to local regulations and should be treated through incineration or professional waste disposal services that specialize in hazardous waste. Environmental protection measures include ensuring the waste is neutralized to reduce toxicity before disposal, and all handlers should follow protective clothing and safety protocols to avoid exposure.