3-Amino-4-methoxybenzenesulfonic acid

Basic Information

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CAS Number

98-42-0

Molecular Formula

C7H9NO4S

Molecular Weight

203.22 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Amines

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

305 °C (dec.)

Boiling Point

°Cat760mmHg

Density

1.4540 (rough estimate)

Refractive Index

1.6370 (estimate)

SMILES

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COC1=C(C=C(C=C1)S(=O)(=O)O)N

InChI

InChI=1S/C7H9NO4S/c1-12-7-3-2-5(4-6(7)8)13(9,10)11/h2-4H,8H2,1H3,(H,9,10,11)

InChIKey

FLIOATBXVNLPLK-UHFFFAOYSA-N

LogP

0.5241

Topological Polar Surface Area

89.62 Å²

Hydrogen Bond Donor/Acceptor

3 / 5

Complexity

258

Safety Information

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Hazard Statement

H314 Causes severe skin burns and eye damage
Skin corrosion/irritation

H370 Causes damage to organs
Specific target organ toxicity, single exposure

H372 Causes damage to organs through prolonged or repeated exposure
Specific target organ toxicity, repeated exposure

Hazard Class

Class 8 Class 8

Synonyms & References

English

MFCD00035759
NS00003655
FT-0611283
4-Methoxymetanilic acid
2-Aminoanisole-4-sulfonic Acid
3-Amino-4-methoxybenzenesulfonicacid
AE-562/43387290
2-Methoxy-5-sulfoaniline
EC 202-667-5
o-Anisidine-p-sulfonic acid
UNII-UC28556HZC
2-Anisidine-4-sulfonicacid
D70672
A845857
3-Amino-4-methoxybenzenesulfonic acid
NSC-74459
Q18472671
3-Amino-4-methoxybenzenesulphonic acid
AS-14326
SCHEMBL155353
o-Anisidin-p-sulfosaure
Benzenesulfonic acid, 3-amino-4-methoxy-
DTXSID9059171
InChI=1/C7H9NO4S/c1-12-7-3-2-5(4-6(7)8)13(9,10)11/h2-4H,8H2,1H3,(H,9,10,11
Metanilic acid, 4-methoxy-
2-Methoxyaniline-5-sulfonic acid
Benzenesulfonic acid , 3-amino-4-methoxyl-
NSC 74459
UC28556HZC
W-100081
o-Anisidine-4-sulfonic acid

MDL Number

MFCD00035759

Customs Code

2922299090

FAQ

What are the physical and chemical properties of 3-Amino-4-methoxybenzenesulfonic acid (CAS: 98-42-0)?

3-Amino-4-methoxybenzenesulfonic acid (CAS: 98-42-0) is a white to pale yellow crystalline solid with a molecular weight of approximately 237.19 g/mol. It has a solubility of about 2.6 g/L in water at 20°C. Chemically, it is moderately reactive, particularly with bases and nucleophiles. It is commonly used in analytical chemistry and pharmaceuticals due to its unique functional groups.

How is 3-Amino-4-methoxybenzenesulfonic acid (CAS: 98-42-0) typically synthesized?

3-Amino-4-methoxybenzenesulfonic acid (CAS: 98-42-0) can be synthesized via the sulfonation of 4-methoxyaniline followed by coupling with benzenesulfonyl chloride. The reaction typically involves the use of a phase transfer catalyst and requires careful control of the reaction conditions to achieve high yield and selectivity. The overall process is moderately complex but straightforward for experienced chemists.

What industries use 3-Amino-4-methoxybenzenesulfonic acid (CAS: 98-42-0)?

3-Amino-4-methoxybenzenesulfonic acid (CAS: 98-42-0) is primarily used in the pharmaceutical industry for the synthesis of drugs, particularly those that require specific functional groups for bioactivity. It is also found in polymer production, where its functional groups can enhance material properties. Additionally, it is employed in sensors and semiconductors for its reactivity and stability.

What precautions should be taken when handling 3-Amino-4-methoxybenzenesulfonic acid (CAS: 98-42-0)?

When handling 3-Amino-4-methoxybenzenesulfonic acid (CAS: 98-42-0), it is essential to wear appropriate personal protective equipment (PPE), including gloves, safety goggles, and a lab coat. The compound should be stored in a dry, well-ventilated area, away from heat sources. In case of a spill, avoid inhalation of the dust and use a fume hood for safe handling. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information and emergency procedures.