4-Amino-3-methylbenzenesulfonic acid

Basic Information

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CAS Number

98-33-9

Molecular Formula

C7H9NO3S

Molecular Weight

187.22 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

290 ºC

Density

1.3553 (rough estimate)

Refractive Index

1.6100 (estimate)

SMILES

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CC1=C(C=CC(=C1)S(=O)(=O)O)N

InChI

InChI=1S/C7H9NO3S/c1-5-4-6(12(9,10)11)2-3-7(5)8/h2-4H,8H2,1H3,(H,9,10,11)

InChIKey

WQTCZINVPXJNEL-UHFFFAOYSA-N

LogP

0.82392

Topological Polar Surface Area

80.39000000000001 Å²

Hydrogen Bond Donor/Acceptor

3 / 4

Complexity

244

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class 8 Class 8

Synonyms & References

English

4-Amino-meta-toluenesulfonic acid (SO3H=1)
PS-8456
2-Aminotoluene-5-sulfonic acid
98-33-9
SCHEMBL152490
4-amino-3-methylbenzene-1-sulfonic acid
4-AMINO-3-METHYLBENZENESULPHONIC ACID
UNII-ET833CB2KU
W-100084
AC-22497
4-amino-3-methyl-benzenesulfonate
NS00022919
4-Amino-m-toluenesulfonic acid (SO3H=1)
CCRIS 3412
NSC 7545
o-Toluidine-4-sulfonic acid
NSC7545
AI3-16579
2-Aminotoluene-5-suofonic acid
NSC-7545
2-Amino-toluene-4-sulfonic acid
Q27277356
4-Amino-m-toluenesulfonic acid
4-Amino-m-toluenesulfonic acid [SO3H=1]
FT-0611001
4-Amino-3-methyl-benzenesulfonic acid (OTS)
ET833CB2KU
4-amino-3-methyl-benzenesulfonic acid
3-Methylsulphanilic acid
2-Amino-5-toluenesulfonic acid
DTXSID5059167

MDL Number

MFCD00025198

Customs Code

2921430090

FAQ

What are the physical and chemical properties of 4-Amino-3-methylbenzenesulfonic acid (CAS: 98-33-9)?

4-Amino-3-methylbenzenesulfonic acid (CAS: 98-33-9) is a white or off-white crystalline solid with a molecular weight of approximately 214.19 g/mol. It is sparingly soluble in water and more soluble in organic solvents. This compound is known for its reactivity in nucleophilic aromatic substitution reactions and can act as a sulfonic acid, making it acidic. It is often used in synthetic chemistry and various industrial applications.

How is 4-Amino-3-methylbenzenesulfonic acid (CAS: 98-33-9) typically synthesized?

4-Amino-3-methylbenzenesulfonic acid (CAS: 98-33-9) can be synthesized through a series of reactions. Commonly, it is synthesized by first preparing 3-methylbenzenesulfonic acid and then converting it to its corresponding sulfonamide. This process involves the use of amines and sulfonic acid groups, with careful control of reaction conditions to achieve the desired product. The exact methods may vary, but they typically involve aromatic substitution and amide formation reactions.

What industries use 4-Amino-3-methylbenzenesulfonic acid (CAS: 98-33-9)?

4-Amino-3-methylbenzenesulfonic acid (CAS: 98-33-9) is used in various industries due to its chemical properties. It finds applications in pharmaceuticals, where it serves as a precursor in the synthesis of medicinal compounds. It is also utilized in the production of dyes, as a catalyst in polymer synthesis, and in the development of sensors and semiconductors. Its versatility makes it a valuable compound in materials science and research.

What precautions should be taken when handling 4-Amino-3-methylbenzenesulfonic acid (CAS: 98-33-9)?

When handling 4-Amino-3-methylbenzenesulfonic acid (CAS: 98-33-9), it is important to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Handle the compound in a well-ventilated area or a fume hood to minimize exposure. Spills should be cleaned up immediately using appropriate absorbent materials, and the area should be decontaminated. Always refer to the Safety Data Sheet (SDS) for detailed information on safe handling and storage procedures.