4-Amino-3-fluorophenol - ≥98% , CAS No.399-95-1

CAS: 399-95-1 Cat. No.: A122547 Molecular Weight: 127.12 Beilstein Registry Number: 13(3)1178 EC Number: 402-230-0

GRADE & PURITY ≥98%

Synonyms

J-514362 | FT-0617494 | 4-Amino-3-fluorophenol 100 microg/mL in Acetonitrile | Phenol, 4-amino-3-fluoro- | FD16013 | AKOS009158959 | BCP07694 | SY031709 | DTXSID60192950 | AC-3748 | MNPLTKHJEAFOCA-UHFFFAOYSA-N | 4-amino-3 -fluorophenol | EN300-84105

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

J-514362 | FT-0617494 | 4-Amino-3-fluorophenol 100 microg/mL in Acetonitrile | Phenol, 4-amino-3-fluoro- | FD16013 | AKOS009158959 | BCP07694 | SY031709 | DTXSID60192950 | AC-3748 | MNPLTKHJEAFOCA-UHFFFAOYSA-N | 4-amino-3 -fluorophenol | EN300-84105

Specifications & Purity

≥98%

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488192764
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192764
• Canonical Smiles: C1=CC(=C(C=C1O)F)N
• IUPAC Name: 4-amino-3-fluorophenol
• InChIKey: MNPLTKHJEAFOCA-UHFFFAOYSA-N
• INCHI: 1S/C6H6FNO/c7-5-3-4(9)1-2-6(5)8/h1-3,9H,8H2
• Isomeric SMILES: C1=CC(=C(C=C1O)F)N
• Molecular Weight: 127.12
• Beilstein: 13(3)1178
• Reaxy-Rn: 2802555
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2802555&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: p-Aminophenols Aniline and substituted anilines Fluorobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl fluorides Primary amines Organopnictogen compounds Organooxygen compounds Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminophenol - P-aminophenol - Aniline or substituted anilines - 3-fluorophenol - 1-hydroxy-2-unsubstituted benzenoid - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Amine - Organofluoride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Primary amine - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen 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

Chemical and Physical Properties

• Sensitivity: air sensitive
• Melt Point(°C): 137-140°C
• Molecular Weight: 127.120 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 127.043 Da
• Monoisotopic Mass: 127.043 Da
• Topological Polar Surface Area: 46.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 99.100
• 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. Yanhan Tao, Hui Yang, Guoming Yuan, Zhijun Liu, Bo Yang, Kun Wu, Jun Shi.  (2025)  Epoxy resin with imine bonds and biphenyl liquid crystalline groups for intrinsic high thermal conductivity and recyclability.  COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS,      [PMID:] [10.1016/j.colsurfa.2025.139341]