2,4,5-Trimethylbenzenesulfonic acid

Basic Information

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CAS Number

3453-84-7

Molecular Formula

C9H12O3S

Molecular Weight

200.26 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

110.5-112 ºC

Boiling Point

°Cat760mmHg

Refractive Index

1.545

SMILES

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Cc1cc(c(cc1C)S(=O)(=O)O)C

InChI

InChI=1S/C9H12O3S/c1-6-4-8(3)9(5-7(6)2)13(10,11)12/h4-5H,1-3H3,(H,10,11,12)

InChIKey

RFDZNGIWELUYOT-UHFFFAOYSA-N

LogP

1.8585600000000002

Topological Polar Surface Area

54.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

265

Synonyms & References

English

2,4,5-Trimethylbenzenesulfonic acid
1,2,4-TRIMETHYL-5-BENZENESULFONIC ACID
Benzenesulfonic acid, 2,4,5-trimethyl-
2,4,5-trimethyl-benzenesulfonic acid
2,4,5-Trimethyl-benzolsulfonsaeure
PSEUDOCUMENE-5-SULFONIC ACID
Pseudocumol-sulfonsaeure-(5)
NSC 163978
pseudocumene-5-sulfonicacid
2,4,5-TRIMETHYLBENZENSULFONIC ACID
2,4,5-TRIMETHYLBENZENESULFONIC ACID
1,2,4-Trimethyl-5-benzenesulfonic acid
Benzenesulfonic acid, 2,4,5-triMethyl-
Pseudocumene-5-sulfonic acid

MDL Number

MFCD00024913

Customs Code

2904100000

FAQ

What is 2,4,5-Trimethylbenzenesulfonic acid (CAS: 3453-84-7)?

2,4,5-Trimethylbenzenesulfonic acid, with the CAS number 3453-84-7, is a sulfonic acid derivative with the molecular formula C9H11O4S. It is a colorless to light yellow crystalline solid with a pungent odor. This chemical is used in various applications including pharmaceuticals, dyes, and as a reagent in organic synthesis.

What are the main uses of 2,4,5-Trimethylbenzenesulfonic acid (CAS: 3453-84-7)?

2,4,5-Trimethylbenzenesulfonic acid is used in the pharmaceutical industry as a starting material for drug synthesis. It is also employed in the dye industry and serves as a reagent in organic synthesis. Additionally, it finds applications in the production of surfactants and other chemical processes.

Is 2,4,5-Trimethylbenzenesulfonic acid (CAS: 3453-84-7) safe?

2,4,5-Trimethylbenzenesulfonic acid is generally safe when handled with proper precautions. It is corrosive and may cause skin irritation or eye damage. Users should wear appropriate personal protective equipment such as gloves and safety glasses. Avoid contact with open flames and ensure good ventilation during use.

How should 2,4,5-Trimethylbenzenesulfonic acid (CAS: 3453-84-7) be stored?

2,4,5-Trimethylbenzenesulfonic acid should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent moisture absorption. Store it at room temperature (15-25°C) and avoid contact with incompatible materials like bases or oxidizers.