4-Chloro-3-(chlorosulfonyl)benzoic acid

Basic Information

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CAS Number

2494-79-3

Molecular Formula

C7H4Cl2O4S

Molecular Weight

255.08 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

165-170°C

Boiling Point

432.4±35.0 °C at 760 mmHg

Density

1.7±0.1 g/cm3

Flash Point

215.3±25.9 °C

SMILES

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

InChI

InChI=1S/C7H4Cl2O4S/c8-5-2-1-4(7(10)11)3-6(5)14(9,12)13/h1-3H,(H,10,11)

InChIKey

LYBQQYNSZYSUMT-UHFFFAOYSA-N

LogP

1.9657

Topological Polar Surface Area

71.44 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

321

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H318 Causes serious eye damage
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

Z56794096
AB06583
AKOS000115106
4-chloro-3-(chlorosulfonyl)benzoic acid
LYBQQYNSZYSUMT-UHFFFAOYSA-N
2494-79-3
4-Chloro-3-(chlorosulphonyl)benzoic acid
EN300-01716
4-Chloro-3-(chlorosulfonyl)benzoicAcid
SCHEMBL396004
3-chlorosulfonyl-4-chlorobenzoic acid
A20622
FT-0600630
SY110108
Benzoic acid,4-chloro-3-(chlorosulfonyl)-
AT-419/40153188
4-Chloro-3-(chlorosulfonyl) benzoic acid
CS-W014085
AMY30987
4-Chloro-3-chlorosulfonyl-benzoic acid, AldrichCPR
EINECS 219-667-6
4-chloro-5-chlorosulfonyl benzoic acid
benzyl4-aminoazepane-1-carboxylate
W-107272
4-chloro-3-chlorosulfonylbenzoic acid
4-chloro-5-chlorosulfonylbenzoic acid
AS-11446
Benzoic acid, 4-chloro-3-(chlorosulfonyl)-
DTXSID30179657
5-carboxy-2-chlorobenzenesulfonyl chloride
4-chloro-3-chlorosulfonyl-benzoic acid

MDL Number

MFCD00625723

Customs Code

2916399090

FAQ

What are the physical and chemical properties of 4-Chloro-3-(chlorosulfonyl)benzoic acid (CAS: 2494-79-3)?

4-Chloro-3-(chlorosulfonyl)benzoic acid (CAS: 2494-79-3) is a crystalline solid with a molecular weight of 262.03 g/mol. It has a low solubility in water but is more soluble in organic solvents like ethanol and acetone. It is reactive towards basic solutions and can undergo hydrolysis. This compound is stable under normal storage conditions but should be protected from moisture and heat.

How is 4-Chloro-3-(chlorosulfonyl)benzoic acid (CAS: 2494-79-3) typically synthesized?

4-Chloro-3-(chlorosulfonyl)benzoic acid (CAS: 2494-79-3) is typically synthesized via the chlorosulfonation of benzoic acid using chlorosulfonic acid as the sulfonating agent. The reaction is carried out in anhydrous conditions to prevent hydrolysis. The yield and selectivity can be improved by using appropriate catalysts and temperature control.

What industries use 4-Chloro-3-(chlorosulfonyl)benzoic acid (CAS: 2494-79-3)?

4-Chloro-3-(chlorosulfonyl)benzoic acid (CAS: 2494-79-3) finds applications in the pharmaceutical industry for the synthesis of certain active pharmaceutical ingredients. It is also used in the polymer industry for the development of functional polymers. Additionally, it can be used in sensor technology and semiconductor manufacturing for specific chemical processes.

What precautions should be taken when handling 4-Chloro-3-(chlorosulfonyl)benzoic acid (CAS: 2494-79-3)?

When handling 4-Chloro-3-(chlorosulfonyl)benzoic acid (CAS: 2494-79-3), it is important to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Work in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be cleaned up using appropriate absorbents, and the area should be flushed with water. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.