Cas no 40306-75-0 (3-Acetamido-5-amino-4-hydroxybenzenesulfonic acid)

3-Acetamido-5-amino-4-hydroxybenzenesulfonic acid is a sulfonated aromatic compound featuring both acetamido and amino functional groups, making it a versatile intermediate in organic synthesis. Its structure allows for selective reactivity, particularly in azo dye production and pharmaceutical applications. The presence of sulfonic acid enhances solubility in aqueous media, facilitating reactions under mild conditions. The compound’s hydroxyl and amino groups offer sites for further derivatization, enabling tailored modifications for specialized uses. Its stability under standard conditions ensures consistent performance in industrial processes. This compound is valued for its role in synthesizing high-purity intermediates with precise functional group compatibility.
3-Acetamido-5-amino-4-hydroxybenzenesulfonic acid structure
40306-75-0 structure
Product Name:3-Acetamido-5-amino-4-hydroxybenzenesulfonic acid
CAS No:40306-75-0
MF:C8H10N2O5S
MW:246.240400791168
CID:89420
PubChem ID:24879930
Update Time:2025-05-20

3-Acetamido-5-amino-4-hydroxybenzenesulfonic acid Chemical and Physical Properties

Names and Identifiers

    • 3-Acetamido-5-amino-4-hydroxybenzenesulfonic acid
    • AAPS
    • 6-Acetylamino-2-Aminophenol-4-Sulphonic Acid
    • 6-Acetamino-2-Aminophenol-4-Sulfonic Acid
    • (AAPS) (ACLAP)
    • 3-(acetylamino)-5-amino-4-hydroxy-Benzenesulfonic acid
    • 3-(Acetylamino)-5-amino-4-hydroxybenzenesulfonic acid
    • Benzenesulphonic acid, 3-(acetylamino)-5-amino-4-hydroxy-
    • SCHEMBL343266
    • 3-PYRIMIDIN-5-YL-BENZOICACID
    • NSC-229313
    • 3-Acetamido-5-amino-4-hydroxybenzenesulfonicacid
    • AKOS015889812
    • UNII-XV96F4V45U
    • AC-13322
    • 3-acetamido-5-azanyl-4-oxidanyl-benzenesulfonic acid
    • A825930
    • 40306-75-0
    • NS00057556
    • XV96F4V45U
    • 6-Acetamido-2-aminophenol-4-sulfonic acid
    • EC 254-879-2
    • Benzenesulfonic acid, 3-(acetylamino)-5-amino-4-hydroxy-
    • NSC229313
    • EINECS 254-879-2
    • W-110929
    • NSC 229313
    • 3-Acetamido-5-amino-4-hydroxybenzenesulphonic acid
    • 3-(Acetylamino)-5-amino-4-hydroxybenzenesulphonic acid
    • DTXSID90885424
    • FT-0639635
    • 6-Amino-2-acetaminophenol-4-sulfonic acid
    • SFUJTLIHMWZDTL-UHFFFAOYSA-N
    • DB-049567
    • MDL: MFCD00035909
    • Inchi: 1S/C8H10N2O5S/c1-4(11)10-7-3-5(16(13,14)15)2-6(9)8(7)12/h2-3,12H,9H2,1H3,(H,10,11)(H,13,14,15)
    • InChI Key: SFUJTLIHMWZDTL-UHFFFAOYSA-N
    • SMILES: S(C1C=C(C(=C(C=1)NC(C)=O)O)N)(=O)(=O)O

Computed Properties

  • Exact Mass: 246.03100
  • Monoisotopic Mass: 246.031042
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 363
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 138
  • Surface Charge: 0
  • Tautomer Count: 18
  • XLogP3: -1.2

Experimental Properties

  • Density: 1.686
  • Melting Point: >300?°C (lit.)
  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • Refractive Index: 1.681
  • PSA: 138.10000
  • LogP: 1.91450

3-Acetamido-5-amino-4-hydroxybenzenesulfonic acid Security Information

  • Symbol: GHS07
  • Signal Word:Warning
  • Hazard Statement: H315-H319-H335
  • Warning Statement: P261-P305+P351+P338
  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • Hazard Category Code: 36/37/38
  • Safety Instruction: S26-S36
  • Hazardous Material Identification: Xi
  • Risk Phrases:R36/37/38
  • Safety Term:S26-S36

3-Acetamido-5-amino-4-hydroxybenzenesulfonic acid Customs Data

  • HS CODE:2924299090
  • Customs Data:

    China Customs Code:

    2924299090

    Overview:

    2924299090. Other cyclic amides(Including cyclic carbamates)(Including their derivatives as well as their salts). VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, packing

    Summary:

    2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

3-Acetamido-5-amino-4-hydroxybenzenesulfonic acid Pricemore >>

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3-Acetamido-5-amino-4-hydroxybenzenesulfonic acid Related Literature

Additional information on 3-Acetamido-5-amino-4-hydroxybenzenesulfonic acid

3-Acetamido-5-amino-4-hydroxybenzenesulfonic Acid: A Comprehensive Overview

3-Acetamido-5-amino-4-hydroxybenzenesulfonic acid, also known by its CAS number 40306-75-0, is a compound of significant interest in various fields of chemistry and materials science. This compound, with its unique structure and functional groups, has garnered attention due to its potential applications in pharmaceuticals, dyes, and advanced materials. Recent studies have shed light on its synthesis, properties, and possible uses, making it a topic of ongoing research.

The molecular structure of 3-Acetamido-5-amino-4-hydroxybenzenesulfonic acid is characterized by the presence of an acetamido group at the 3-position, an amino group at the 5-position, a hydroxyl group at the 4-position, and a sulfonic acid group attached to the benzene ring. This combination of functional groups imparts the compound with versatile chemical properties. The sulfonic acid group, in particular, contributes to its strong acidity and potential for use in acidic environments.

Recent research has focused on the synthesis of this compound through various routes. One notable method involves the substitution reaction of a benzene ring with appropriate directing groups to introduce the desired functional groups. The reaction conditions, such as temperature and pH, play a critical role in achieving high yields and purity. Advanced techniques like high-performance liquid chromatography (HPLC) and mass spectrometry have been employed to analyze the product's structure and purity.

The properties of 3-Acetamido-5-amino-4-hydroxybenzenesulfonic acid make it a promising candidate for applications in pharmaceuticals. Its amino and hydroxyl groups can act as reactive sites for drug delivery systems or as building blocks for more complex molecules. Additionally, the sulfonic acid group enhances water solubility, which is advantageous for drug formulations requiring rapid dissolution.

In the field of materials science, this compound has shown potential as a precursor for advanced materials such as conductive polymers or metal-organic frameworks (MOFs). The amino and hydroxyl groups can serve as coordination sites for metal ions, enabling the formation of stable MOFs with tailored properties. Recent studies have demonstrated its ability to form MOFs with high surface area and porosity, making them suitable for gas storage or catalytic applications.

The environmental impact of synthesizing 3-Acetamido-5-amino-4-hydroxybenzenesulfonic acid has also been a topic of interest. Researchers are exploring greener synthesis methods that minimize waste and reduce energy consumption. For instance, microwave-assisted synthesis has been proposed as an efficient alternative to traditional heating methods, offering faster reaction times and higher yields.

In conclusion, 3-Acetamido-5-amino-4-hydroxybenzenesulfonic acid (CAS No: 40306-75-0) is a multifaceted compound with diverse applications across various industries. Its unique structure and functional groups make it a valuable asset in both academic research and industrial applications. As research continues to uncover new insights into its properties and potential uses, this compound is poised to play an increasingly important role in the development of innovative materials and pharmaceuticals.

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