4-Chloro-3-(chlorosulfonyl)-5-nitrobenzoic acid

Basic Information

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CAS Number

22892-95-1

Molecular Formula

C7H3Cl2NO6S

Molecular Weight

300.07 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

Boiling Point

495 °C at 760 mmHg

Density

1.847

Flash Point

253.2 °C

Refractive Index

1.626

SMILES

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C1=C(C=C(C(=C1[N+](=O)[O-])Cl)S(=O)(=O)Cl)C(=O)O

InChI

InChI=1S/C7H3Cl2NO6S/c8-6-4(10(13)14)1-3(7(11)12)2-5(6)17(9,15)16/h1-2H,(H,11,12)

InChIKey

AFRAGFLBINOHDV-UHFFFAOYSA-N

LogP

3.47790

Complexity

427

Synonyms & References

English

4-chloro-5-chlorosulphonyl-3-nitrobenzoicacid
4-chloro-5-chlorosulphonyl-3-nitro-benzoic acid
T9UC8TJB58
4-Chloro-5-chlorosulphonyl-3-nitrobenzoic acid
4-CHLORO-3-(CHLOROSULPHONYL)-5-NITROBENZOIC ACID
Benzoicacid, 4-chloro-3-(chlorosulfonyl)-5-nitro-
22892-95-1
Benzoic acid, 4-chloro-3-(chlorosulfonyl)-5-nitro-
4-chloro-5-chlorosulfonyl-3-nitrobenzoic acid
4-Chloro-3-chlorosulfonyl-5-nitrobenzoic acid
4-chloro-5-chloro-sulfonyl-3-nitrobenzoic acid
BENZOIC ACID, 4-CHLORO-3-(CHLOROSULPHONYL)-5-NITRO-
4-chloro-3-nitro-5-chlorosulphonyl-benzoic acid
2-HYDROXY-4-TRIFLUOROMETHYL-BENZOICACIDMETHYLESTER
FT-0705671
SCHEMBL135289
AFRAGFLBINOHDV-UHFFFAOYSA-N
DTXSID90177432
EINECS 245-309-3
4-Chloro-3-(chlorosulfonyl)-5-nitrobenzoicacid
3-Nitro-4-chloro-5-chlorosulfonylbenzoic acid
AKOS009386055
UNII-T9UC8TJB58
NS00027291
4-CHLORO-3-CHLOROSULFONYL-5-NITROBENZOICACID
4-chloro-3-(chlorosulfonyl)-5-nitrobenzoic acid
4-Chloro-3-(chlorosulfonyl)-5-nitrobenzoic acid
4-CHLORO-3-CHLOROSULFONYL-5-NITROBENZOIC ACID
3-nitro-4-chloro-5-chlorosulfonylbenzoic acid
4-Chlor-5-chlorsulfonyl-3-nitro-benzoesaeure

MDL Number

MFCD00034790

Customs Code

2916399090

FAQ

What are the physical and chemical properties of 4-Chloro-3-(chlorosulfonyl)-5-nitrobenzoic acid (CAS: 22892-95-1)?

4-Chloro-3-(chlorosulfonyl)-5-nitrobenzoic acid is a crystalline solid with a molecular weight of approximately 334.01 g/mol. It is slightly soluble in water but more soluble in organic solvents like ethanol and acetone. Chemically, it is highly reactive due to the presence of the nitro and sulfonyl halide groups, which can participate in electrophilic aromatic substitution and nucleophilic substitution reactions.

How is 4-Chloro-3-(chlorosulfonyl)-5-nitrobenzoic acid (CAS: 22892-95-1) typically synthesized?

4-Chloro-3-(chlorosulfonyl)-5-nitrobenzoic acid is commonly synthesized through a multistep process involving nitration of 4-chlorobenzoic acid followed by chlorosulfonation of the resulting nitro derivative. This process requires careful control of reaction conditions to achieve high selectivity and yield. Commonly used reagents include nitric acid and sulfur trioxide, with the reaction typically carried out in the presence of a sulfuric acid catalyst.

What industries use 4-Chloro-3-(chlorosulfonyl)-5-nitrobenzoic acid (CAS: 22892-95-1)?

4-Chloro-3-(chlorosulfonyl)-5-nitrobenzoic acid is used in the pharmaceutical industry for the synthesis of certain drugs, in the polymer industry for the modification of polymer properties, and in the semiconductor industry for the fabrication of electronic components. It also finds applications in the production of sensors and other advanced materials.

What precautions should be taken when handling 4-Chloro-3-(chlorosulfonyl)-5-nitrobenzoic acid (CAS: 22892-95-1)?

When handling 4-Chloro-3-(chlorosulfonyl)-5-nitrobenzoic acid, it is essential to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be carried out in a well-ventilated fume hood to minimize exposure to fumes and aerosols. Spills should be cleaned up using appropriate absorbent materials and disposed of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling instructions and emergency procedures.