Benzenesulfonic acid, 2-chloro-5-nitro-

Basic Information

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CAS Number

96-73-1

Molecular Formula

C6H4ClNO5S

Molecular Weight

237.62 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

>300°C

Density

1.651 (estimate)

Refractive Index

1.6000 (estimate)

SMILES

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

InChI

InChI=1S/C6H4ClNO5S/c7-5-2-1-4(8(9)10)3-6(5)14(11,12)13/h1-3H,(H,11,12,13)

InChIKey

GNTARUIZNIWBCN-UHFFFAOYSA-N

LogP

3.09890

Complexity

318

Safety Information

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Hazard Statement

H317 May cause an allergic skin reaction
Sensitization, Skin

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

2-Chloro-5-nitrobenzenesulfonic acid
2-Chloro-5-nitrobenzenesulfonic Acid Discontinued. Please see C373875.
2-Chloro-5-nitro-benzenesulfonic Acid
2-Chloro-5-nitrobenzenesulfonic Acid Discontinued. Please see C373875.
3-Sulfo-4-chloronitrobenzene
4-chloro-3-sulphonitrobenzene
4-nitrochloro benzene-2-sulphonic acid
5-nitro-2-chlorobenzenesulfonic acid
6-chloro-3-nitrobenzenesulfonic acid
Benzenesulfonic acid,2-chloro-5-nitro
p-Nitrochlorobenzene-o-sulfonic acid
2-chloro-5-nitrobenzenesulphonic acid
2-Chloro-5-nitrobenzenesulfonic acid (ACI)
1-Chloro-4-nitrobenzene-2-sulfonic acid
4-Chloro-1-nitro-3-sulfobenzene
4-Nitro-1-chlorobenzene-2-sulfonic acid
4-Nitro-2-sulfochlorobenzene
NSC 5375
4-Nitrochlorobenzene-2-sulfonic acid
AI3-08898
E70395
NSC5375
DTXCID4048987
Discontinued. Please see C373875
2--Chloro-5-nitro benzene sulphonic acid
W-100134
2-Chloro-5-nitrobenzenesulphonic acid
2-chloro-5-nitro-benzenesulfonic acid
p-Nitrochlorbenzol-o-sulfosaure
2Chloro5nitrobenzenesulphonic acid
MFCD00065336

MDL Number

MFCD00065336

Customs Code

2904909090

FAQ

What are the physical and chemical properties of 2-Chloro-5-nitrobenzenesulfonic acid (CAS: 96-73-1)?

2-Chloro-5-nitrobenzenesulfonic acid is a crystalline solid with a molecular weight of approximately 277.03 g/mol. It has a melting point of about 230-233°C. The compound is slightly soluble in water but more soluble in organic solvents like ethanol and acetone. It is chemically reactive, particularly towards nucleophiles and reducing agents.

How is 2-Chloro-5-nitrobenzenesulfonic acid (CAS: 96-73-1) typically synthesized?

2-Chloro-5-nitrobenzenesulfonic acid is usually synthesized from 5-nitrotoluene by chlorosulfonation. This process involves the reaction of 5-nitrotoluene with chlorosulfonic acid in the presence of a catalyst such as sulfuric acid. The reaction is exothermic and requires careful control of temperature to achieve high yield and selectivity.

What industries use 2-Chloro-5-nitrobenzenesulfonic acid (CAS: 96-73-1)?

2-Chloro-5-nitrobenzenesulfonic acid is used in the pharmaceutical industry for the synthesis of certain drugs. It is also utilized in the production of dyes and pigments, as well as in the manufacturing of sensors and semiconductors. Its applications in polymer science include the modification of polymer properties.

What precautions should be taken when handling 2-Chloro-5-nitrobenzenesulfonic acid (CAS: 96-73-1)?

Proper personal protective equipment (PPE) such as gloves, goggles, and lab coat should be worn when handling 2-Chloro-5-nitrobenzenesulfonic acid (CAS: 96-73-1). This compound should be handled in a well-ventilated area or a fume hood due to its potential for releasing harmful fumes. Spills should be cleaned up immediately with appropriate absorbents, and the area should be thoroughly rinsed. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.