3-Fluorophenol - ≥98% , CAS No.372-20-3

CAS: 372-20-3 Cat. No.: F120588 Molecular Weight: 112.1 Beilstein Registry Number: 1904536 EC Number: 206-748-6

GRADE & PURITY ≥98%

Synonyms

AM61491 | 3-Fluorophenol, 98% | W-106558 | EINECS 206-748-6 | NCIOpen2_001026 | Phenol, 3-fluoro- | UNII-T7OMA38487 | EN300-19554 | Phenol, m-fluoro- | AKOS000118865 | SCHEMBL5008 | NSC-87078 | STL445671 | AC-10889 | 3- fluorophenol | BP-12002 | NSC 87078

Storage

Protected from light,Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

AM61491 | 3-Fluorophenol, 98% | W-106558 | EINECS 206-748-6 | NCIOpen2_001026 | Phenol, 3-fluoro- | UNII-T7OMA38487 | EN300-19554 | Phenol, m-fluoro- | AKOS000118865 | SCHEMBL5008 | NSC-87078 | STL445671 | AC-10889 | 3- fluorophenol | BP-12002 | NSC 87078

Specifications & Purity

≥98%

Storage

Protected from light, Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488181020
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181020
• Canonical Smiles: C1=CC(=CC(=C1)F)O
• IUPAC Name: 3-fluorophenol
• InChIKey: SJTBRFHBXDZMPS-UHFFFAOYSA-N
• INCHI: 1S/C6H5FO/c7-5-2-1-3-6(8)4-5/h1-4,8H
• Isomeric SMILES: C1=CC(=CC(=C1)F)O
• WGK Germany: 3
• Molecular Weight: 112.1
• Beilstein: 1904536
• Reaxy-Rn: 1904536
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1904536&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Phenols
      • Subclass Halophenols
        • Level5 Fluorophenols
          • Level6 M-fluorophenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Phenols
• Subclass: Halophenols
• Intermediate Tree Nodes: Fluorophenols
• Direct Parent: M-fluorophenols
• Alternative Parents: Fluorobenzenes 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Aryl fluorides Organooxygen compounds Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 3-fluorophenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Halobenzene - Fluorobenzene - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organohalogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as m-fluorophenols. These are fluorophenols carrying a iodine at the C3 position of the benzene ring.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

ALB Tchem Serum albumin (2651 Activities)

Discover Target: ALB

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Air sensitive;Light sensitive
• Refractive Index: 1.514
• Flash Point(°F): 159.8 °F
• Flash Point(°C): 71°(159°F)
• Boil Point(°C): 177-179°C
• Melt Point(°C): 12-14°C
• Molecular Weight: 112.100 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 112.032 Da
• Monoisotopic Mass: 112.032 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 74.900
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Li Zhijun, Zhang Mingyang, Zhang Lili, Dong Xiuli, Leng Leipeng, Horton J. Hugh, Wang Jun.  (2021)  Engineering the atomic interface of porous ceria nanorod with single palladium atoms for hydrodehalogenation reaction.  Nano Research,  15  (2): (1338-1346).  [PMID:] [10.1007/s12274-021-3662-y]

2. Xiaomin Zhang, Wenjie Xiong, Zhuoheng Tu, Lingling Peng, Youting Wu, Xingbang Hu.  (2019)  Supported Ionic Liquid Membranes with Dual-Site Interaction Mechanism for Efficient Separation of CO2.  ACS Sustainable Chemistry & Engineering,      [PMID:] [10.1021/acssuschemeng.9b01604]

3. Min Li, Zhenfang Shang, Yonglan Ma, Huijun Zhao, Zhijing Ni, Zhaojun Wei, Xiu Zhang.  (2024)  Tolerance Mechanisms and Removal Efficiency of Chlorella pyrenoidosa in Treating 3-Fluorophenol Pollution.  Metabolites,  14  (8): (449).  [PMID:39195545] [10.3390/metabo14080449]

4. Zhenxin Wang, Yifan Yin, Jiaqi Yang, Jiaye Duan, Xiangkang Zeng, Wuang Ren, Shengjiong Yang, Gen Wang.  (2025)  Electron transfer-driven polymerization of phenolics via CuO-catalyzed peracetic acid for sustainable wastewater remediation.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:41352020] [10.1016/j.jhazmat.2025.140680]