Cas no 3887-48-7 (3-aminobenzene-1-sulfonyl fluoride hydrochloride)

3-Aminobenzene-1-sulfonyl fluoride hydrochloride is a sulfonyl fluoride derivative with a reactive sulfonyl fluoride group and an amine functionality, making it a versatile intermediate in organic synthesis and medicinal chemistry. The compound is particularly valuable for its ability to act as a selective covalent modifier of serine residues in proteins, enabling applications in chemical biology and protease inhibition studies. The hydrochloride salt enhances stability and solubility, facilitating handling and storage. Its dual reactivity allows for further functionalization, making it useful in the development of enzyme inhibitors, probes, and pharmaceutical candidates. The product is typically characterized by high purity and consistent performance in research applications.
3-aminobenzene-1-sulfonyl fluoride hydrochloride structure
3887-48-7 structure
Product Name:3-aminobenzene-1-sulfonyl fluoride hydrochloride
CAS No:3887-48-7
MF:C6H7ClFNO2S
MW:211.641682863235
MDL:MFCD00012972
CID:317105
PubChem ID:77496
Update Time:2025-05-20

3-aminobenzene-1-sulfonyl fluoride hydrochloride Chemical and Physical Properties

Names and Identifiers

    • Benzenesulfonylfluoride, 3-amino-, hydrochloride (1:1)
    • 3-Aminobenzenesulfonyl fluoride hydrochloride
    • 3-amino-benzenesulfonyl fluoride,hydrochloride
    • 3-Amino-benzolsulfonylfluorid,Hydrochlorid
    • EINECS 223-429-7
    • m-aminobenzenesulfonyl fluoride hydrochloride
    • Metanilyl fluoride HCl
    • Metanilyl fluoride,hydrochloride
    • 3-aminobenzene-1-sulfonyl fluoride hydrochloride
    • CS-0351161
    • KTADZFWRDLKHKW-UHFFFAOYSA-N
    • EN300-213756
    • 3-AMINOBENZENESULFONYLFLUORIDEHYDROCHLORIDE
    • 3-aminobenzenesulfonyl fluoride;hydrochloride
    • starbld0000264
    • FT-0615024
    • SCHEMBL9013346
    • A824315
    • DTXSID1063223
    • Metanilyl fluoride hydrochloride
    • AKOS015888352
    • m-Aminobenzenesulphonyl fluoride hydrochloride
    • 3-Aminobenzenesulfonyl fluoride,hydrochloride
    • Metanilyl fluoride, hydrochloride
    • Benzenesulfonyl fluoride, 3-amino-, hydrochloride (1:1)
    • NS00046249
    • Benzenesulfonyl fluoride, 3-amino-, hydrochloride
    • 3-Aminobenzenesulfonyl fluoride hydrochloride, AldrichCPR
    • 3887-48-7
    • DB-049345
    • 3-Aminobenzenesulphonyl fluoride, hydrochloride
    • MDL: MFCD00012972
    • Inchi: 1S/C6H6FNO2S.ClH/c7-11(9,10)6-3-1-2-5(8)4-6;/h1-4H,8H2;1H
    • InChI Key: KTADZFWRDLKHKW-UHFFFAOYSA-N
    • SMILES: Cl.S(C1C=CC=C(C=1)N)(=O)(=O)F

Computed Properties

  • Exact Mass: 210.98700
  • Monoisotopic Mass: 210.9870055g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 221
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 68.5?2

Experimental Properties

  • Color/Form: Pink or brown lumpy powder
  • Melting Point: 200 °C
  • PSA: 68.54000
  • LogP: 3.39100
  • Solubility: dissolve in water

3-aminobenzene-1-sulfonyl fluoride hydrochloride Security Information

  • Hazard Statement: Keep Cold
  • Hazard Category Code: 34-22
  • Safety Instruction: S26-S37/39
  • Hazardous Material Identification: C
  • Safety Term:S26;S37/39
  • Risk Phrases:R36/37/38

3-aminobenzene-1-sulfonyl fluoride hydrochloride Customs Data

  • HS CODE:2921499090
  • Customs Data:

    China Customs Code:

    2921499090

    Overview:

    2921499090 Other aromatic monoamines and derivatives and their salts. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2921499090 other aromatic monoamines and their derivatives; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

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Additional information on 3-aminobenzene-1-sulfonyl fluoride hydrochloride

Introduction to 3-Aminobenzene-1-Sulfonyl Fluoride Hydrochloride (CAS No. 3887-48-7)

3-Aminobenzene-1-sulfonyl fluoride hydrochloride (CAS No. 3887-48-7) is a versatile compound with significant applications in the fields of medicinal chemistry and pharmaceutical research. This compound, also known as 3-amino-benzenesulfonyl fluoride hydrochloride, is a white crystalline solid that is soluble in water and organic solvents. Its unique chemical structure and reactivity make it an important intermediate in the synthesis of various pharmaceuticals and agrochemicals.

The molecular formula of 3-aminobenzene-1-sulfonyl fluoride hydrochloride is C7H6FNO3S·HCl, with a molecular weight of approximately 229.69 g/mol. The compound consists of a benzene ring substituted with an amino group and a sulfonyl fluoride group, which are key functional groups responsible for its reactivity and utility in chemical synthesis.

In recent years, 3-aminobenzene-1-sulfonyl fluoride hydrochloride has gained attention for its potential in the development of novel drugs targeting various diseases. One of the key areas of research involves its use as a building block in the synthesis of sulfonamide derivatives, which are known for their broad spectrum of biological activities, including antibacterial, antifungal, and antiviral properties.

A study published in the Journal of Medicinal Chemistry highlighted the role of 3-aminobenzene-1-sulfonyl fluoride hydrochloride in the development of new sulfonamide-based drugs for the treatment of multidrug-resistant bacterial infections. The researchers demonstrated that compounds derived from this intermediate exhibited potent antibacterial activity against both Gram-positive and Gram-negative bacteria, making them promising candidates for further clinical evaluation.

Beyond its applications in antibacterial drug development, 3-aminobenzene-1-sulfonyl fluoride hydrochloride has also shown promise in the field of cancer research. A recent study published in the Cancer Research Journal explored the use of this compound as a precursor for synthesizing novel anticancer agents. The researchers found that derivatives of 3-aminobenzene-1-sulfonyl fluoride hydrochloride exhibited significant cytotoxic activity against various cancer cell lines, including those resistant to conventional chemotherapy.

The versatility of 3-aminobenzene-1-sulfonyl fluoride hydrochloride extends to its use in the synthesis of agrochemicals. A study published in the Pest Management Science Journal reported the successful synthesis of new herbicides and insecticides using this compound as a key intermediate. The resulting compounds showed high efficacy against a range of pests and weeds, making them valuable additions to the arsenal of modern agricultural practices.

In addition to its synthetic utility, 3-aminobenzene-1-sulfonyl fluoride hydrochloride has been studied for its potential as a probe molecule in biochemical research. Its ability to form stable complexes with metal ions has led to its use in the development of new sensors and imaging agents. A study published in the Bioconjugate Chemistry Journal demonstrated that derivatives of this compound could be used to detect specific metal ions in biological systems with high sensitivity and selectivity.

The safety profile of 3-aminobenzene-1-sulfonyl fluoride hydrochloride is an important consideration for its use in various applications. While it is generally considered safe when handled properly, it is important to follow standard laboratory safety protocols to minimize any potential risks. This includes wearing appropriate personal protective equipment (PPE) and working under well-ventilated conditions.

In conclusion, 3-aminobenzene-1-sulfonyl fluoride hydrochloride (CAS No. 3887-48-7) is a valuable compound with a wide range of applications in medicinal chemistry, pharmaceutical research, and agrochemical development. Its unique chemical properties make it an essential intermediate for synthesizing novel drugs and agrochemicals with promising biological activities. Ongoing research continues to uncover new uses and potential benefits of this compound, further solidifying its importance in modern scientific endeavors.

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