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

CAS: 399-95-1 Cat. No.: A122547 Fórmula: C₆H₆FNO Peso molecular: 127.12 Beilstein Registry Number: 13(3)1178 Número CE: 402-230-0

GRAU & PUREZA ≥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

Especificações

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

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Store at -20°C,Argon charged

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

488192764

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488192764

Sorrisos canónicos

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

SMILES isoméricas

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
    • Classe Phenols
      • Subclass Halophenols
        • Level5 Fluorophenols
          • Level6 M-fluorophenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrição: 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

Propriedades químicas e físicas

• Sensibilidade: air sensitive
• Ponto de fusão (°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