Cas no 75996-29-1 (5-Fluorobenzene-1,3-diol)

5-Fluorobenzene-1,3-diol is a fluorinated aromatic diol with the molecular formula C?H?FO?. This compound features a benzene ring substituted with a fluorine atom and two hydroxyl groups at the 1 and 3 positions, making it a valuable intermediate in organic synthesis and pharmaceutical applications. Its unique structure enables selective reactivity in electrophilic aromatic substitution and coupling reactions, facilitating the production of fluorinated fine chemicals. The presence of both fluorine and hydroxyl groups enhances its utility in agrochemical and medicinal chemistry, where fluorinated compounds often exhibit improved metabolic stability and bioavailability. It is typically handled under controlled conditions due to its reactivity.
5-Fluorobenzene-1,3-diol structure
5-Fluorobenzene-1,3-diol structure
Product Name:5-Fluorobenzene-1,3-diol
CAS No:75996-29-1
MF:C6H5FO2
MW:128.101105451584
MDL:MFCD08457182
CID:1089992
PubChem ID:12658778
Update Time:2025-06-09

5-Fluorobenzene-1,3-diol Chemical and Physical Properties

Names and Identifiers

    • 5-Fluorobenzene-1,3-diol
    • 5-Fluororesorcinol
    • 5-FLUORO-BENZENE-1,3-DIOL
    • 3,5-dihydroxyfluorobenzene
    • 5-fluoro-3,5-dihydroxybenzene
    • 1,3-Benzenediol, 5-fluoro-
    • 1-Fluoro-3,5-dihydroxybenzene
    • LYFBZGKZAZBANN-UHFFFAOYSA-N
    • AK141992
    • F1081
    • DS-7470
    • F52031
    • DTXSID80505942
    • AMY28235
    • A928789
    • CS-0146737
    • MFCD08457182
    • SCHEMBL972239
    • Z1198179531
    • 75996-29-1
    • CHEMBL2332778
    • AKOS006288247
    • EN300-171230
    • ZH0003
    • DB-139815
    • MDL: MFCD08457182
    • Inchi: 1S/C6H5FO2/c7-4-1-5(8)3-6(9)2-4/h1-3,8-9H
    • InChI Key: LYFBZGKZAZBANN-UHFFFAOYSA-N
    • SMILES: FC1C=C(C=C(C=1)O)O

Computed Properties

  • Exact Mass: 128.02700
  • Monoisotopic Mass: 128.02735756g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 0
  • Complexity: 87.1
  • 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
  • XLogP3: 0.6
  • Topological Polar Surface Area: 40.5

Experimental Properties

  • Density: 1.415±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 136.0 to 140.0 deg-C
  • Boiling Point: 237.9±10.0 oC (760 Torr),
  • Flash Point: 97.7±19.0 oC,
  • Solubility: Slightly soluble (6 g/l) (25 o C),
  • PSA: 40.46000
  • LogP: 1.23690

5-Fluorobenzene-1,3-diol Security Information

5-Fluorobenzene-1,3-diol Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Fluorochem
037809-250mg
5-Fluoro-benzene-1,3-diol
75996-29-1 95%
250mg
£160.00 2022-03-01
Fluorochem
037809-1g
5-Fluoro-benzene-1,3-diol
75996-29-1 95%
1g
£245.00 2022-03-01
Fluorochem
037809-5g
5-Fluoro-benzene-1,3-diol
75996-29-1 95%
5g
£1051.00 2022-03-01
SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd.
F156742-1g
5-Fluorobenzene-1,3-diol
75996-29-1 >98.0%(GC)
1g
¥1030.90 2023-09-02
SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd.
F156742-250mg
5-Fluorobenzene-1,3-diol
75996-29-1 >98.0%(GC)
250mg
¥439.90 2023-09-02
Alichem
A014002841-1g
5-Fluorobenzene-1,3-diol
75996-29-1 95%
1g
$679.90 2023-09-01
Alichem
A014002841-5g
5-Fluorobenzene-1,3-diol
75996-29-1 95%
5g
$1852.50 2023-09-01
Chemenu
CM254937-1g
5-Fluorobenzene-1,3-diol
75996-29-1 95%
1g
$583 2021-06-16
SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd.
F863934-250mg
5-Fluororesorcinol
75996-29-1 >98.0%(GC)
250mg
¥1,064.70 2022-01-11
CHENG DOU FEI BO YI YAO Technology Co., Ltd.
FB00872-5g
5-Fluorobenzene-1,3-diol
75996-29-1 95%
5g
$1570 2023-09-07

5-Fluorobenzene-1,3-diol Production Method

Additional information on 5-Fluorobenzene-1,3-diol

Comprehensive Overview of 5-Fluorobenzene-1,3-diol (CAS No. 75996-29-1): Properties, Applications, and Industry Insights

5-Fluorobenzene-1,3-diol (CAS No. 75996-29-1), also known as 5-Fluoro-1,3-benzenediol, is a fluorinated aromatic compound with significant relevance in pharmaceutical, agrochemical, and material science research. This fluorophenol derivative features a hydroxyl group at the 1 and 3 positions of the benzene ring, combined with a fluorine substituent at the 5-position, which enhances its reactivity and utility in synthetic chemistry. The compound’s unique structure makes it a valuable intermediate for designing advanced bioactive molecules and functional materials.

In recent years, the demand for fluorinated building blocks like 5-Fluorobenzene-1,3-diol has surged due to their role in drug discovery. Researchers frequently search for "fluorophenol applications" or "CAS 75996-29-1 synthesis" to explore its potential in developing kinase inhibitors, antimicrobial agents, and PET radiotracers. The fluorine atom’s electronegativity improves metabolic stability and binding affinity, aligning with trends in precision medicine and targeted therapies.

From a technical perspective, 5-Fluorobenzene-1,3-diol exhibits a melting point of 98–102°C and solubility in polar organic solvents such as ethanol and dimethyl sulfoxide (DMSO). Its spectroscopic properties (e.g., NMR and IR data) are well-documented, aiding in quality control during industrial-scale production. Analytical techniques like HPLC and GC-MS are commonly employed to verify purity, a critical factor for end-users in the fine chemical industry.

Environmental and regulatory considerations are also pivotal. While not classified as hazardous under major chemical inventories, proper handling guidelines emphasize avoiding prolonged exposure. Sustainability-focused queries such as "green synthesis of fluorophenols" reflect growing interest in eco-friendly production methods for derivatives like 5-Fluorobenzene-1,3-diol. Innovations in catalytic fluorination and flow chemistry are addressing these demands.

Market analysts highlight the compound’s role in high-performance polymers and electronic materials, particularly in OLED manufacturing. Its ability to modify electron density in conjugated systems makes it attractive for organic semiconductors. Additionally, patents involving 5-Fluorobenzene-1,3-diol often cite its use in UV stabilizers and antioxidants, further diversifying its industrial footprint.

In summary, 5-Fluorobenzene-1,3-diol (CAS No. 75996-29-1) bridges multiple scientific disciplines, driven by its structural versatility and fluorine’s strategic advantages. As AI-driven drug discovery and smart materials evolve, this compound is poised to remain a focal point in innovation. For researchers, staying updated on its synthetic protocols and emerging applications is essential to leverage its full potential.

Recommended suppliers
Shanghai Joy Biotech Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shanghai Joy Biotech Ltd
Enjia Trading Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Enjia Trading Co., Ltd
Shanghai Aoguang Biotechnology Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shanghai Aoguang Biotechnology Co., Ltd
Shenzhen Jianxing Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Shenzhen Jianxing Pharmaceutical Technology Co., Ltd.
Jinan Hanyu Chemical Co.,Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Jinan Hanyu Chemical Co.,Ltd.