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

CAS: 399-95-1 Cat. No.: A122547 Peso molecular: 127.12 Beilstein Registry Number: 13(3)1178 Número EC: 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

Sinónimos

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

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488192764
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192764
• Sonrisas canónicas: 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
• Isómeros SMILES: C1=CC(=C(C=C1O)F)N
• Peso molecular: 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
    • Clase Phenols
      • Subclass Halophenols
        • Level5 Fluorophenols
          • Level6 M-fluorophenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Sensibilidad: air sensitive
• Punto de fusión (°C): 137-140°C
• Peso molecular: 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

Referencias

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]