3-Aminophenol sulfate (2:1)

Basic Information

View in Editor

CAS Number

68239-81-6

Molecular Formula

C12H16N2O6S

Molecular Weight

316.34 g/mol

Basic Physical Properties

SMILES

View in Editor

c1cc(cc(c1)O)N.c1cc(cc(c1)O)N.OS(=O)(=O)O

InChI

InChI=1S/2C6H7NO.H2O4S/c2*7-5-2-1-3-6(8)4-5;1-5(2,3)4/h2*1-4,8H,7H2;(H2,1,2,3,4)

InChIKey

TVBNHNUPRXSKHS-UHFFFAOYSA-N

LogP

1.2960000000000003

Topological Polar Surface Area

167.1 Å²

Hydrogen Bond Donor/Acceptor

8 / 8

Complexity

95.3

Synonyms & References

English

3-Aminophenol sulfate (2:1)
3-Aminophenol hemisulfate
M-AMINO PHENOL SULFATE
3-aminophenol sulfate
Bis[(3-hydroxyphenyl)ammonium] sulphate
Phenol,3-amino-,sulfate (2:1) (salt)

MDL Number

MFCD08460117

FAQ

What are the physical and chemical properties of 3-Aminophenol sulfate (2:1) (CAS: 68239-81-6)?

3-Aminophenol sulfate (2:1) is a solid with a crystalline form. Its molecular weight is approximately 227.14 g/mol. This compound is slightly soluble in water and acetone. It is a reducing agent and can react with oxidizing agents. It has a pKa of about 7.0.

How is 3-Aminophenol sulfate (2:1) (CAS: 68239-81-6) typically synthesized?

3-Aminophenol sulfate (2:1) is typically synthesized by the sulfation of 3-aminophenol. Common methods include the use of sulfur trioxide or fuming sulfuric acid as the sulfating agent. The reaction is carried out in an aqueous medium, and the product is then purified by crystallization. The yield and selectivity of the reaction are influenced by the choice of sulfating agent and reaction conditions.

What industries use 3-Aminophenol sulfate (2:1) (CAS: 68239-81-6)?

3-Aminophenol sulfate (2:1) is used in the pharmaceutical industry as an intermediate in the synthesis of various drugs. It also finds applications in the production of dyes, polymers, and sensors. In the semiconductor industry, it serves as a precursor for the production of certain materials.

What precautions should be taken when handling 3-Aminophenol sulfate (2:1) (CAS: 68239-81-6)?

When handling 3-Aminophenol sulfate (2:1), it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. This compound should be handled in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be cleaned up using appropriate spill kits, and all procedures should follow the Material Safety Data Sheet (MSDS).