2,4-Dichlorophenyl benzenesulfonate

Basic Information

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CAS Number

97-16-5

Molecular Formula

C12H8Cl2O3S

Molecular Weight

303.17 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

45.5 ºC

Density

1.464±0.06 g/cm3 (20 ºC 760 Torr),

Solubility

Insuluble (1.7E-3 g/L) (25 ºC),

SMILES

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C1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C12H8Cl2O3S/c13-9-6-7-12(11(14)8-9)17-18(15,16)10-4-2-1-3-5-10/h1-8H

InChIKey

OZFAFGSSMRRTDW-UHFFFAOYSA-N

LogP

3.7611000000000017

Topological Polar Surface Area

43.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

360

Synonyms & References

English

Phenol, 2,4-dichloro-,1-benzenesulfonate
Genite
2,4-Dichlorophenylbenzenesulfonate
2,4-Dichlorophenylbenzenesulfonate Solution
2,4-dichloro-phenol
EM 923
Genitol
Latka 923
2,4-Dichlorophenyl benzenesulphonate
Genite (insecticide)
Genite 923
Genite EM 923
Genitol 923
NSC 27323
NSC 38761
Benzenesulfonic acid, 2,4-dichlorophenyl ester (6CI)
Phenol, 2,4-dichloro-, benzenesulfonate (7CI, 8CI, 9CI)
2,4-Dichlorophenyl benzenesulfonate
Genit
(2,4-dichlorophenyl) benzenesulfonate
Benzenesulfonic acid, 2,4-dichlorophenyl ester
UNII-2VO951CU06
Benzenesulphonic acid, 2,4-dichlorophenyl ester
AKOS008677995
NCGC00256584-01
DTXCID30447
2,4-Dichlorfenylester kyseliny benzensulfonove [Czech]
Compound 923
Tox21_302810
NSC27323
Benzenesulfonic acid,4-dichlorophenyl ester

Customs Code

2906299090

FAQ

What are the physical and chemical properties of 2,4-Dichlorophenyl benzenesulfonate (CAS: 97-16-5)?

2,4-Dichlorophenyl benzenesulfonate is a crystalline solid with a molecular weight of approximately 269.04 g/mol. It has low solubility in water but is more soluble in organic solvents like ethanol and acetone. Chemically, it is relatively stable but may react with strong bases. This compound is commonly used in analytical chemistry due to its reactivity and stability under certain conditions.

How is 2,4-Dichlorophenyl benzenesulfonate (CAS: 97-16-5) typically synthesized?

2,4-Dichlorophenyl benzenesulfonate is typically synthesized through the sulfonation of 2,4-dichlorobenzoic acid with sulfur trioxide (SO3) in the presence of a solvent like methanol. The reaction is exothermic, and careful control of temperature is necessary to achieve high yield and selectivity. Catalysts such as pyridine may be used to enhance the reaction efficiency.

What industries use 2,4-Dichlorophenyl benzenesulfonate (CAS: 97-16-5)?

2,4-Dichlorophenyl benzenesulfonate is primarily used in the pharmaceutical industry as an intermediate for the synthesis of certain drugs. It is also employed in the production of dyes, pigments, and other chemical intermediates. Additionally, it finds use in the synthesis of various chemicals and in analytical chemistry due to its reactivity and stability.

What precautions should be taken when handling 2,4-Dichlorophenyl benzenesulfonate (CAS: 97-16-5)?

Proper personal protective equipment (PPE) should be worn when handling 2,4-dichlorophenyl benzenesulfonate, including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood. Spills should be handled with caution, and appropriate spill kits should be available. Always refer to the Safety Data Sheet (SDS) for detailed information on handling and storage procedures.