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

CAS: 399-95-1 Cat. No.: A122547 Summenformel: C₆H₆FNO Molekulargewicht: 127.12 Beilstein Registry Number: 13(3)1178 EG-Nummer: 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

Synonyme

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

Spezifikationen & Reinheit

≥98%

Storage

Store at -20°C,Argon charged

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 488192764
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192764
• Kanonisches Lächeln: 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
• Isomere SMILES: C1=CC(=C(C=C1O)F)N
• Molekulargewicht: 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
    • Klasse Phenols
      • Subclass Halophenols
        • Ebene5 Fluorophenols
          • Ebene6 M-fluorophenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: air sensitive
• Schmelzpunkt (°C): 137-140°C
• Molekulargewicht: 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