4-(Chlorosulfonyl)benzoic acid

Basic Information

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CAS Number

10130-89-9

Molecular Formula

C7H5ClO4S

Molecular Weight

220.63 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

233-235 °C

Boiling Point

379.1°C at 760 mmHg

Water Solubility

Reacts with water.

Flash Point

183.1°C

Refractive Index

1.588

SMILES

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

InChI

InChI=1S/C7H5ClO4S/c8-13(11,12)6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)

InChIKey

PTCSSXYPZOFISK-UHFFFAOYSA-N

LogP

1.3123

Topological Polar Surface Area

71.44 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

284

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

Sensitiveness

Moisture Sensitive

Synonyms & References

English

PTCSSXYPZOFISK-UHFFFAOYSA-
BB 0218015
SW7ZBW2FWE
SCHEMBL40244
4-chlorosulphonylbenzoic acid
Benzoic acid, p-(chlorosulfonyl)-
4-(chlorosulphonyl) benzoic acid
Benzoic acid, 4-(chlorosulfonyl)-
DTXSID5064960
(chlorosulfonyl)benzoic acid
AKOS000349033
InChI=1/C7H5ClO4S/c8-13(11,12)6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)
CS-W019499
NSC-511364
4-(Chlorosulfonyl)benzoic acid
FT-0636637
4-(Chlorosulfonyl)benzoic acid, 96%
MFCD00007448
NSC 191087
4-chlorosulfonylbenzoic acid
4-Chlorosulfonyl benzoic acid
4-CARBOXYPHENYLSULFONYL CHLORIDE
J-513707
4-carboxyphenylsulphonylchloride
10130-89-9
4-(chlorosulfonyl)-benzoic acid
NSC-191087
A800370
4-chlorosulphonyl-benzoic acid
4-Chlorosulfonyl-benzoic acid
UNII-SW7ZBW2FWE

MDL Number

MFCD00007448

Customs Code

2916399090

FAQ

What regulatory guidelines apply to 4-(Chlorosulfonyl)benzoic acid (CAS: 10130-89-9)?

4-(Chlorosulfonyl)benzoic acid (CAS: 10130-89-9) is classified according to the Globally Harmonized System of Classification and Labeling of Chemicals (GHS) as a skin and eye irritant. It is subject to the European Union's Registration, Evaluation, Authorization, and Restriction of Chemicals (REACH) regulation. In the United States, it is regulated by the Environmental Protection Agency (EPA) and the Food and Drug Administration (FDA) under hazardous substances and pharmaceuticals regulations, respectively.

Are there alternatives to 4-(Chlorosulfonyl)benzoic acid in synthesis?

Alternatives to 4-(Chlorosulfonyl)benzoic acid include other sulfonic acid derivatives such as 4-(bromosulfonyl)benzoic acid or 4-(tosyloxy)benzoic acid. These can be used as effective sulfonating agents in similar synthetic processes, depending on the specific requirements of the reaction.

What is the market or research trend for 4-(Chlorosulfonyl)benzoic acid (CAS: 10130-89-9)?

The market for 4-(Chlorosulfonyl)benzoic acid (CAS: 10130-89-9) is driven by its use in pharmaceuticals and fine chemicals. Research trends show an increasing demand in the development of new drug candidates and advanced organic synthesis techniques. Recent studies focus on its role as a key intermediate in the synthesis of bioactive molecules and its utility in analytical chemistry.

How should waste containing 4-(Chlorosulfonyl)benzoic acid (CAS: 10130-89-9) be handled?

Waste containing 4-(Chlorosulfonyl)benzoic acid (CAS: 10130-89-9) should be collected in appropriate, labeled containers and stored away from incompatible materials. Proper incineration or use of a professional waste disposal service is recommended to ensure the safe and environmentally friendly disposal of the waste. All disposal procedures should follow local and international regulations to minimize environmental impact.