3-Methyl-4-pyridinesulfonic acid

Basic Information

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CAS Number

14045-23-9

Molecular Formula

C6H7NO3S

Molecular Weight

173.19 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Boiling Point

°Cat760mmHg

Density

1.422

Refractive Index

1.562

SMILES

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CC1=C(C=CN=C1)S(=O)(=O)O

InChI

InChI=1S/C6H7NO3S/c1-5-4-7-3-2-6(5)11(8,9)10/h2-4H,1H3,(H,8,9,10)

InChIKey

YLZRQBQLRFXQPL-UHFFFAOYSA-N

LogP

0.63672

Topological Polar Surface Area

67.26 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

219

Synonyms & References

English

3-methylpyridine-4-sulfonic Acid
3-Methylpyridine-4-sulfonicacid
METHYL-PHOSPHINICACID
FT-0645809
4-Pyridinesulfonic acid, 3-methyl-
3-Methyl-pyridine-4-sulfonic acid
14045-23-9
A3031
SCHEMBL19939976
AKOS006292927
3-Methyl-4-pyridinesulfonic acid, AldrichCPR
3-methypyridine-4-sulfonic acid
DTXSID30376568
3-Methylpyridine-4-sulfonic acid
3-METHYPYRIDINE-4-SULFONIC ACID
4-Pyridinesulfonicacid,3-methyl
4-Pyridinesulfonicacid, 3-methyl-

MDL Number

MFCD04114234

Customs Code

2933399090

FAQ

What regulatory guidelines apply to 3-Methyl-4-pyridinesulfonic acid (CAS: 14045-23-9)?

3-Methyl-4-pyridinesulfonic acid (CAS: 14045-23-9) is regulated under the Globally Harmonized System of Classification and Labeling of Chemicals (GHS), which requires hazard communication labels and safety data sheets. In the EU, it falls under REACH regulations, and in the United States, it must comply with FDA and EPA requirements, including toxicological testing and environmental impact assessments.

Are there alternatives to 3-Methyl-4-pyridinesulfonic acid (CAS: 14045-23-9) in synthesis?

Alternatives to 3-Methyl-4-pyridinesulfonic acid (CAS: 14045-23-9) in synthesis include other sulfonic acids like benzenesulfonic acid and other pyridine derivatives. Common substitutes include 2-Methyl-4-pyridinesulfonic acid and 4-Methyl-3-pyridinesulfonic acid, which offer similar functionality but with different physical and chemical properties.

What is the market or research trend for 3-Methyl-4-pyridinesulfonic acid (CAS: 14045-23-9)?

The market for 3-Methyl-4-pyridinesulfonic acid (CAS: 14045-23-9) is growing due to its use in pharmaceuticals and agriculture. Research trends focus on its application in drug synthesis and as a catalyst in organic transformations. Recent studies have shown increasing interest in its role as a green reagent in sustainable chemical processes.

How should waste containing 3-Methyl-4-pyridinesulfonic acid (CAS: 14045-23-9) be handled?

Waste containing 3-Methyl-4-pyridinesulfonic acid (CAS: 14045-23-9) should be collected in appropriate containers and disposed of according to local regulations. Incineration is a common method for disposal, but professional waste disposal services should be used to ensure environmental safety. Proper handling includes wearing protective gear and following safety protocols to prevent exposure and environmental contamination.