3,5-Diamino-4-methylbenzenesulfonic acid

Basic Information

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CAS Number

98-25-9

Molecular Formula

C7H10N2O3S

Molecular Weight

202.23 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

162

Boiling Point

°Cat760mmHg

Density

1.52

Refractive Index

1.657

SMILES

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CC1=C(C=C(C=C1N)S(=O)(=O)O)N

InChI

InChI=1S/C7H10N2O3S/c1-4-6(8)2-5(3-7(4)9)13(10,11)12/h2-3H,8-9H2,1H3,(H,10,11,12)

InChIKey

IPQWXJDRMKGSFI-UHFFFAOYSA-N

LogP

0.4061200000000003

Topological Polar Surface Area

106.41 Å²

Hydrogen Bond Donor/Acceptor

5 / 5

Complexity

260

Synonyms & References

English

3,5-Diamino-4-methylbenzenesulfonic acid
NS00040527
SCHEMBL4812412
V639XR4UA9
Benzenesulfonic acid,5-diamino-4-methyl-
3,5-Diamino-p-toluenesulfonic acid
N-Methyl2-Chloroacetamide
A845829
AC-22496
p-Toluenesulfonic acid, 3,5-diamino-
NSC43299
NSC 43299
DTXSID0059162
EINECS 202-649-7
W-100086
AKOS015842321
2-[[5-[5-[4-[1-(2-amino-7-methyl-4-oxo-5,6,7,8-tetrahydro-1H-pteridin-6-yl)ethylamino]phenyl]-2,3,4-trihydroxy-pentoxy]-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxypentanedioic acid
FT-0631507
2,6-Diaminotoluene-4-sulphonic acid
p-Toluenesulfonic acid,5-diamino-
2,6-Diamino toluene-4-sulfonic acid
98-25-9
NSC-43299
2,6-Diaminotoluene-4-sulfonic acid
3,5-Diamino-4-methylbenzenesulfonicacid
Benzenesulfonic acid, 3,5-diamino-4-methyl-
3,5-Diamino-4-Methylbenzenesulfonic
2,6-DIAMINO TOLUENE-4-SULFONIC ACID
3,5-Diaminotoluene-4-Sulfonic Acid
1,5-diamino-6-methylbenzene-3-sulfonic acid
1-methyl-2,6-diaminobenzene-4-sulphonic acid

MDL Number

MFCD00035929

FAQ

What are the physical and chemical properties of 3,5-Diamino-4-methylbenzenesulfonic acid (CAS: 98-25-9)?

3,5-Diamino-4-methylbenzenesulfonic acid (CAS: 98-25-9) is a white crystalline solid with a molecular weight of approximately 216.21 g/mol. It has a solubility of about 10 g/L in water at 25°C. This compound exhibits basic properties due to its amino groups and is known for its reactivity in coupling reactions and its ability to form complexes with metal ions.

How is 3,5-Diamino-4-methylbenzenesulfonic acid (CAS: 98-25-9) typically synthesized?

3,5-Diamino-4-methylbenzenesulfonic acid (CAS: 98-25-9) is typically synthesized through a multi-step process involving the sulfonation of 4-methylbenzene, followed by the coupling of the sulfonic acid with diamines. Commonly used catalysts include sulfuric acid, and the reaction is optimized for high selectivity and yield, often achieved through careful control of temperature and reagent concentration.

What industries use 3,5-Diamino-4-methylbenzenesulfonic acid (CAS: 98-25-9)?

3,5-Diamino-4-methylbenzenesulfonic acid (CAS: 98-25-9) is used in various industries. It is a key intermediate in the pharmaceutical and chemical industries, where it is utilized in the synthesis of dyes, pharmaceuticals, and functional materials. It also finds applications in the polymer industry for the production of high-performance polymers and as a monomer. In addition, it is used in the production of sensors and semiconductors due to its electronic properties.

What precautions should be taken when handling 3,5-Diamino-4-methylbenzenesulfonic acid (CAS: 98-25-9)?

When handling 3,5-Diamino-4-methylbenzenesulfonic acid (CAS: 98-25-9), it is important to wear personal protective equipment (PPE) such as gloves, goggles, and a lab coat to prevent skin and eye contact. The compound should be used in a well-ventilated area or a fume hood to avoid inhalation. In case of a spill, it should be immediately cleaned up with caution, and the area should be well-ventilated. Safety data sheets (SDS) are essential for reference and should be consulted before handling the compound.